Jin-Young Lee, Ahjeong Lyu, Taejun Yoon, Shin Hyun Kim, Won Hui Jo, Jae Bok Seol, Donghwa Lee, Young-Kook Lee*, "Dual role of B in hydrogen embrittlement resistance of high-strength martensitic medium-Mn steel" (submitted).

Jeong-Hwan Park, Je Oh Choi, Hyo Gyeong Shin, Sumin Lee, Jae Hyeok Huh, Seong Ju Hwang, Jun-Hyeong Lee, Donghwa Lee, Moon-Ho Jo, Jong-Hoon Kang*, "Topotactic Conversion to High-Valent Metastable 2D semimetallic W₂N₃ via Lateral Anion Exchange of Bilayer WS₂" (submitted).

Jin-Young Lee, Seung-Hyeon Kim, Jun-Yub Lee, Changhun Kim, Seon-Gyu Kim, Keunwon Lee, Won Hui Jo, Donghwa Lee, Jae Bok Seol, Kisub Cho< Young-Kook Lee*, "Design of Hydrogen-Resistant High-Strength Medium-Mn Steels Via Pareto Active Learning" (submitted).

Suyun Chae, Eunji Ahn, Yonghun Shin, June Ho Lee, Hyomin Hong, Donghwa Lee*, "Critical Role of B-site Cation in ABO2.5-type Brownmillerite Proton Conductor: A First-Principles Study" (submitted).

Sungil Kim, June Ho Lee, Yaolong Xing, Dongchang Kim, Haeseong Jeong, Mongjun Jeong, Manuel Valvidares, Stuart S. P. Parkin, Donghwa Lee, Sang Ho Oh, Hyojin Yoon, Hyeon Han*, "Unveiling Exsolution-Induced Giant Electronic and Magnetic Property Changes in NonStoichiometric Titanate Perovskite Thin Films" (submitted).

Won Jin Jang, Hyeon Kim, Jimin Park, Donghwa Lee*, and Soo Young Kim*, "Conjugated Anion Modulation for Extended Defect Passivation at Buried Interfaces in Perovskite Solar Cells" (submitted).

Hyojin Park, Renhao Wu*, Jae Heung Lee, Yoon-Uk Heo, Do Won Lee, Ji-Su Lee, Seon-Gyu Kim, Haftlang Farahanz, Sang Guk Jeong, Hyo Moon Joo, Byeong-Joo Lee, Donghwa Lee, Hyoung Seop Kim*, "Process-intrinsic precipitate cellular networks for temperature-insensitive strength-ductility in additively manufactured Ni-based alloy" (submitted).

Jaeseon Kim, Youngjun Park, June Ho Lee, Donghwa Lee*, "Acceptor-enhanced the Insulating-to-Metallic phase Transition in 2D Si₂Te₃ from First-Principles Calculations" (submitted).

Yonghun Shin, Kyung-Yeon Doh, Jun Ho Lee, Shin Hyun Kim, and Donghwa Lee*, "Synergistic Interplay of Acceptor and Isovalent Co-doping on BaZrO3-based Proton Conducting Oxides: A First-Principles Study" (submitted).

Eun Ho Kim, Jun Hyeong Gu, Hyo Gyeong Shin, Changhun Kim, Sangwoo Park, Donghwa Lee*, "Generative model for large-cell crystal structure" (submitted).

Hyeon Kim, Seon-Gyu Kim, Jun Hyeong Gu, Jaeseon Kim, Donghwa Lee*, "First-Principles Study of Tungsten Nucleation and Growth on Al₂O₃ and TiN Surfaces for High-k Metal Gate Applications" (submitted).

Geonwoo Kim, Jongmin Lee, Youngjun Park, Yoonsun Choi, Chansik Choi, Kyu-Su Kim, Dongbeom Kim, Ik-Soo Kim, Arup Ghorai, Donghwa Lee*, Unyong Jeong*, "Selection of metal–tellurium (M–Te) alloy as Recyclable Controlled Te Precursors for Wafer-Scale Synthesis of M_xTe_y Thin Films", Small, e12448 (202603).
https://doi.org/10.1002/smll.202512448

Sangyeop Lee, Suyun Chae, Hyeongseok Shim, Yubin Lee, Dong-Yeob Han, Sinho Choi, Gyujin Song*, Donghwa Lee*, Soojin Park*, "Geometric Remodeling of Silicon Crystal Structure Through Atomic-Level Fluorine Incorporation for High-Performance Lithium-Ion Batteries", Adv. Energy Mater., e04961 (202601).
https://doi.org/10.1002/aenm.202504961

Jun Hyeong Gu, Hyeon Kim, Eun Ho Kim, Changhun Kim, Hyo Gyeong Shin, Donghwa Lee*, "From High-Throughput Discovery to Molecular Design Principles of Multi-Redox Lithium-ion Organic Cathodes", Energy Storage Mater., 84, 104873 (202601).
https://doi.org/10.1016/j.ensm.2026.104873

Hyo Gyeong Shin, Seong Hun Kim, Eun Ho Kim, Jun Hyeong Gu, Jaeseon Kim, Seon-Gyu Kim, Shin Hyun Kim, Hyo Kim, Sunghyun Kim, Duk-Hyun Choe, Donghwa Lee*, "Charge Integrated Graph Neural Network-Based Machine Learning Potential for Amorphous and Non-Stoichiometric Hafnium Oxide", Npj Comput. Mater., 11, 382 (202512).
https://doi.org/10.1038/s41524-025-01864-3

Jin-Young Lee, Minjeong Kim, Hyun-Bin Jeong, Won Hui Jo, Jae Bok Seol, Changhun Kim, Donghwa Lee, Young-Kook Lee*, "Revealing the Activation Energies for H Desorption from Spherical Semi-Coherent and Incoherent V₄C₃ Precipitates in Martensitic Medium-Mn Steel", Acta Mater., 301, 121618 (202512).
https://doi.org/10.1016/j.actamat.2025.121618

Young Sun Park, Jaerim Kim, Subin Moon, Eunji Ahn, Hyeonwoong Hwang, Sang-Hoon You, Juwon Lee, Chang-Seop Jeong, Wooyong Jeong, Hyoung-il Kim, Yong-Tae Kim, Kug-Seung Lee, Donghwa Lee, Jong Kyu Kim*, Jooho Moon*, "Efficient Solar-Driven Hydrogen Peroxide Production Enabled by Perovskite Electrochemical Device Integrated with a Cobalt-Based Chiral Catalyst", Energy Environ. Sci., 1, 312-326 (202511).
https://doi.org/10.1039/D5EE04313A

Hyojin Park, Seon-Gyu Kim, Sujung Son, Jeong Ah Lee, Hyojeong Ha, Donghwa Lee, Renhao Wu, Hyoung Seop Kim, "Temperature-Driven Kinetics of Discontinuous L1₂–B2 Competition Enables Core–Shell Architecture and Strengthening in a Ni-Based High-Entropy Alloy", Mater. Sci. Eng. A., 949, 149402 (202511).
https://doi.org/10.1016/j.msea.2025.149402

Gang Hee Gu, Sung-Gyu Heo, Shin Hyun Kim, Jaemin Wang, Goo-Hwan Jeong, Donghwa Lee, Byeong-Joo Lee, Wei Wei, Hyoung Seop Kim*, "Exploring Nanomechanical Characteristics of (CoCrFeMnNi)_100-xN_x High-Entropy Nitride Ceramics: An Integrated Experimental and Computational Approach", Mater. Charact., 229, 115597 (202511).
https://doi.org/10.1016/j.matchar.2025.115597

Changhyun Lim, Hyogyun Roh, Hyeon Kim, Dayoung Kwon, Okkyun Seo, Jiayi Tang, Takeshi Watanabe, Wooyul Kim, Donghwa Lee*, Kijung Yong*, "Selective and Long-Term Stable Ammonia Electrolysis Using Pt–WO_x Catalysts with Suppressed NO_x Formation and Enhanced Activity", Adv. Sci., 13, e15944 (202510).
http://doi.org/10.1002/advs.202515944

Jaeseon Kim, June Ho Lee, Youngjun Park, Donghwa Lee*, "Temperature-Driven Abrupt Changes in the Electronic Structure of 2D Si₂Te₃: A First-Principles Study", Inorg. Chem., 64, 22127-22131 (202510).
https://doi.org/10.1021/acs.inorgchem.5c04084

Jaeyeon Oh, Hyeon Kim, Sungjin Cho, Jaegun Sim, Seungwook Choi, Ansoon Kim, Woo Lee, Seongpil An*, Byung Hee Hong*, Donghwa Lee*, Yeonhoo Kim*, "Electrochemically Chlorinated Graphene for Ultrafast NO₂ Detection at Room Temperature", J. Mater. Chem. A, 13, 39704-39713 (202509).
https://doi.org/10.1039/d5ta05009j

Jong-Kwan Lee, Seon-Gyu Kim , Donghwa Lee, Byeong-Joo Lee*, "Understanding the Synergistic Co-Mo Effect in Maraging Steels: Redistribution of Solute Atoms", Acta Mater., 294, 121171 (202508).
https://doi.org/10.1016/j.actamat.2025.121171

Mostafa Habibi, Alireza Kashir*, Tony Schenk, Hojung Jang, Seungyeol Oh, Jaeseon Kim, Geonhui Kim, Donghwa Lee,  Foroozan Koushan, Hyunsang Hwang*, "Highly Reliable HZO-based FeRAM with Ultra Low Operation Voltage (< 1 V) Enabled by Stoichiometric Control of Tungsten Oxide Interfacial Layer", Adv. Mater. Technol., 10, e00507 (202507).
https://doi.org/10.1002/admt.202500507

Hyeonwoong Hwang, Hanseo Bae, Eunji Ahn,, Dongmin Lee, Hyeon Ho Cho, Sunah Cheong, Tae Yeon Kim, Jaerim Kim, Yongju Yun, Donghwa Lee, Sei Kwang Hahn*, Jong Kyu Kim*, "TiO₂ Nanohelices Decorated with Homogeneous Au‐Core Pd‐Shell Nanocatalysts for Selective Toluene Gas Detection", Small, 21, 2504976 (202507).
https://doi.org/10.1002/smll.202504976

Hyo Gyeong Shin, Eun Ho Kim, Jaeseon Kim, Hyo Kim, Donghwa Lee*, "Ruddlesden-Popper Tolerance Factor: An Indicator Predicting Stability of 2D Ruddlesden-Popper Phases", Acta Mater., 292, 120999 (202506).
https://doi.org/10.1016/j.actamat.2025.120999

Min Young Kim, Dongkyu Lee, June Ho Lee, Donghwa Lee, Gi-Yeop Kim, Si-Young Choi, Joseph P. Heremans, Hyungyu Jin*, "Oxygen Vacancy Defect Engineering for Transverse thermoelectric Enhancement: A Novel Extrinsic Pathway Beyond Intrinsic Approaches", Adv. Sci., 12, 2502892 (202504).
https://doi.org/10.1002/advs.202502892

June Ho Lee, Jaeseon Kim, Youngjun Park, Yonghun Shin, Eun Ho Kim, Donghwa Lee*, "Unveiling the Impact of Short-Range Order of Si-Si Dimer in 2D Si₂Te₃ from First-Principles Calculations", Small Struct., 6, 2500048 (202504).
https://doi.org/10.1002/sstr.202500048

Hyeon Kim, Seong Hun Kim, Jaeseon Kim, Eun Ho Kim, Jun Hyeong Gu, Donghwa Lee*, "A keyword-based approach to analyzing scientific research trends: ReRAM present and future", Sci. Rep., 15, 12011 (202504).
https://doi.org/10.1038/s41598-025-93423-5

Hyunjeong Kwak, Junyoung Choi, Seungmin Han, Eun Ho Kim, Chaeyoun Kim, Paul Solomon, Junyong Lee, Doyoon Kim, Byungha Shin, Donghwa Lee, Oki Gunawan*, Seyoung Kim*, "Unveiling ECRAM Switching Mechanisms Using Variable Temperature Hall Measurements for Accelerated AI Computation", Nat. Commun., 16, 2715 (202503).
https://doi.org/10.1038/s41467-025-58004-0

Gang Hee Gu, Shin Hyun Kim, Sung-Gyu Heo, Yongju Kim, Jaemin Wang, Hyeonseok Kwon, Donghwa Lee, Goo-Hwan Jeong, Byeong-Joo Lee, Dong Jun Lee, Hyoung Seop Kim*, "Strategic Enhancement of CoCrFeMnNi High-Entropy Alloy Mechanical Properties Through a High-Strength Nano-Scale Nitride Layer without Geometrical or Tolerance Constraints", Inter. J. Plast., 185, 104235 (202502).
https://doi.org/10.1016/j.ijplas.2024.104235

Yang Zuo, Yu Fu, Renlong Xiong, Huabei Peng*, Hui Wang*, Yuhua Wen, Seon-Gyu Kim, Donghwa Lee, Hyoung Seop Kim*, "Cryogenic Deformation Strengthening Mechanisms in FeMnSiNiAl High-Entropy Alloys", Acta Mater., 283, 120554 (202411).
https://doi.org/10.1016/j.actamat.2024.120554

Seung Ju Kim, In Hyuk Im, Ji Hyun Baek, Sungkyun Choi, Sung Hyuk Park, Da Eun Lee, Jae Young Kim, Soo Young Kim, Nam-Gyu Park, Donghwa Lee*, J. Joshua Yang*, Ho Won Jang*, "Linearly Programmable Two-Dimensional Halide Perovskite Memristor Arrays for Neuromorphic Computing", Nature nanotech., 20, 83-92 (202410).
https://doi.org/10.1038/s41565-024-01790-3

Geonhui Han, Jaeseon Kim, Youngdong Kim, Jongseon Seo, Donghwa Lee, Hyunsang Hwang*, "Excellent Endurance (> 1013) of Charge Trap Memory based on H_xWO₃ Charge Trap Layer with Shallow Trap Level Using Hydrogen Spillover", IEEE. Electron Device Letters, 45, 1804-1807 (202410).
https://doi.org/10.1109/LED.2024.3443087

Eun Ho Kim, Jun Hyeong Gu, June Ho Lee, Seong Hun Kim, Jaeseon Kim, Hyo Gyeong Shin, Shin Hyun Kim, Donghwa Lee*, "Boosting–Crystal Graph Convolutional Neural Network for Predicting Highly Imbalanced Data: A Case Study for Metal-Insulator Transition Materials", ACS Appl. Mater. Interfaces, 16, 43734-43741 (202409).
https://pubs.acs.org/doi/10.1021/acsami.4c07851

Seong-Min Ko, Seong-Keun Oh, Nu-Ri Cho, Changhun Kim, Donghwa Lee, Seongwoo Kim, Jinkeun Oh, Young-Kook Lee*, "Effect of Al-based intermetallic coating layer on H uptake during austenitization in 31MnB5 steel", Acta Mater., 274, 119993 (202408).
https://doi.org/10.1016/j.actamat.2024.119993

Won Jin Jang, Eun Ho Kim, Jin Hyuk Cho, Donghwa Lee*, Soo Young Kim*, "Elucidating the Role of Alkali Metal Carbonates in Impact on Oxygen Vacancies for Efficient and Stable Perovskite Solar Cells", Adv. Sci., 11, 2406657 (202407).
https://doi.org/10.1002/advs.202406657

Hyeji Sim, Kyung-Yeon Doh, Yunkyu Park, Kyung Song, Gi-Yeop Kim, Junwoo Son, Donghwa Lee*, Si-Young Choi*, "Crystallographic Pathways to Tailoring Metal-Insulator Transition through Oxygen Transport in VO₂", Small, 20, 2402260 (202407).
https://doi.org/10.1002/smll.202402260

Geonhui Han, Youngdong Kim, Jaeseon Kim, Dongmin Kim, Yoori Seo, Chuljun Lee, Jinmyung Choi, Jinwoo Lee, Dongho Ahn, Sechung Oh, Donghwa Lee, Hyunsang Hwang*, "Highly Scalable Vertical Bypass RRAM (VB-RRAM) for 3D V -NAND Memory", IEEE. Symposium on VLSI Tech, 1-2 (202406).
https://doi.org/10.1109/VLSITechnologyandCir46783.2024.10631342

Jinsil Lee, Yonghun Shin, Taeyun Kim, Wooseon Choi, Min-Hyoung Jung, Young-Min Kim, Kyung Joong Yoon, Hu Young Jeong, Donghwa Lee*, Jong Hoon Joo*, "Phase Stability of Perovskite Oxide Electrodes under Operating Condition in Solid Oxide Fuel Cell", Chem. Mater., 36, 2933-2943 (202403).
https://doi.org/10.1021/acs.chemmater.3c03283

Chaeeun Lim, Hyogyun Roh, Eun Ho Kim, Hangyeol Kim, Taiho Park, Donghwa Lee, Kijung Yong*, "Energy-Efficient and Self-Powered Green Ammonia Synthesis by Electrochemical Nitrate Reduction Combined with Hydrazine Oxidation", Small, 19, 2304274 (202308).
https://doi.org/10.1002/smll.202304274

Jihye Park, Jun Hyeong Gu, Myeong Ju Lee, Sun Hwa Park, Junghoon Jahng, Donghwa Lee, Young-Gi Lee, Hosun Shin*, Jung-Yong Lee*, Jae Yong Song*, "Spontaneous electrochemical stabilization of nanostructured organic electrodes by field induced charge-transfer", Energy Storage Mater., 61, 102896 (202307).
https://doi.org/10.1016/j.ensm.2023.102896

Yu Sang-Hyun, Hyun-Bin Jeong, Gi Hoon Kwon, Seon-Gyu Kim, Donghwa Lee, Young-Kook Lee*, "Origin of tearing topography surface in hydrogen-charged pearlitic steel", Acta Materialia, 256, 119116 (202306).
https://doi.org/10.1016/j.actamat.2023.119116

Sang-Hoon You, Hyejin Lee, Eunji Ahn, Kyu-Su Kim, Byung-Jo Lee, Dongwon Shin, Vinod K Paidi, Donghwa Lee*, Byungchan Bae*, Kug‐Seung Lee*, Yong-Tae Kim*, "Enhancement of the Hydrogen Oxidation Reaction in Alkaline Media via Bi-functional Effect using Tantalum as Oxophilic Agent on NiMo/C", ACS Catalysis, 13, 6813-6822 (202305).
https://doi.org/10.1021/acscatal.2c05816

Jaeseon Kim, June Ho Lee, Seong Hun Kim, Youngjun Park, Unyong Jeong, Donghwa Lee*, "First-Principles Investigations on the Semiconductor-to-Metal Phase Transition of 2D Si₂Te₃ for Reversible Resistive Switching", ACS Appl. Mater. Interfaces, 15, 22212-22218 (202304).
https://doi.org/10.1021/acsami.3c01267

Jiye Kim, Kyung-Yeon Doh, Seokho Moon, Chang-Won Choi, Hokyeong Jeong, Jaewon Kim, Wonseok Yoo, Kyungwook Park, Kyeongock Chong, Chunhyng Chung, Hanmei Choi, Si-Young Choi, Donghwa Lee, Jong Kyu Kim*, "Conformal Growth of Hexagonal Boron Nitride on High-Aspect-Ratio Silicon-Based Nanotrenches", ACS Chem. Mater., 35, 2429-2438 (202303).
https://doi.org/10.1021/acs.chemmater.2c03568

Taehoon Kim, Tae Hyung Lee, Seo Yun Park, Tae Hoon Eom, Incheol Cho, Yeonhoo Kim, Changyeon Kim, Sol A Lee, Min-Ju Choi, Jun Min Suh, In-Sung Hwang, Donghwa Lee*, Inkyu Park*, Ho Won Jang*, "Drastic Gas Sensing Selectivity in 2-Dimensional MoS2 Nanoflakes by Noble Metal Decoration", ACS Nano, 17, 4404-4413 (202302).
https://doi.org/10.1021/acsnano.2c09733

Yunkyu Park, Hyeji Sim, Kyung-Yeon Doh, Minguk Jo, Donghwa Lee, Si-Young Choi, Junwoo Son*, "Anionic flow valve across oxide heterointerfaces by remote electron doping", Nano Lett., 22, 9306-9312 (2022).
https://doi.org/10.1021/acs.nanolett.2c02736

Byunghwa Kang, Gyuri Park, Seong Hun Kim, Donghwa Lee, Seung Soo Oh*, "Noncovalent minimal assembly of exogenous histamine with hemin cofactor as a peroxidase-mimicking cooperative catalyst", Iscience, 25, 105257 (2022).
https://doi.org/10.1016/j.isci.2022.105257

Hohan Bae, Yonghun Shin, Lakshya Mathur, Donghwa Lee*, Sun‑Ju Song*, "Defect chemistry of p-type perovskite oxide La_0.2Sr_0.8FeO_3-δ: a combined experimental and computational study", J. Korean Ceram. Soc., 59, 876-888 (2022).
https://doi.org/10.1007/s43207-022-00237-6

Kyoungwon Choi, Dae Hwan Lee, Wooteak Jung, Sungryong Kim, Seong Hun Kim, Donghwa Lee, Seulki Song*, Taiho Park*, "3D Interaction of Zwitterions for Highly Stable and Efficient Inorganic CsPbI3 Solar Cells", Adv. Functional Mater., 32, 2112027 (2022).
https://doi.org/10.1002/adfm.202112027

Won Seok Cho, Dae Myeong Hong, Wan Jae Dong, Tae Hyung Lee, Chul Jong Yoo, Donghwa Lee*, Ho Won Jang*, Jong-Lam Lee*, "Porously reduced 2-Dimensional Bi2O2CO3 Petals for Strain-Mediated Electrochemical CO2 Reduction to HCOOH", Energy Environ. Mat., 7, e12490 (2022).
https://doi.org/10.1002/eem2.12490

Jun MinSuh, Tae HyungLee, Kootak Hong, Young GeunSong, Sung HwanCho, Chong-YunKang, Young-SeokShim, Donghwa Lee*, Ki Chang Kwon*, Ho WonJang*, "Extremely Sensitive and Selective NO2 Detection at Relative Humidity 90% in 2-Dimensional Tin Sulfides/SnO2 Nanorod Heterostructure", Sensors and Actuators B:Chemical, 369, 132319 (2022).
https://doi.org/10.1016/j.snb.2022.132319

Le Bai, Fang Yao, Rui Wang, Baibai Liu, Dongmei He, Qian Zhou, Wenqi Wang, Cunyun Xu, Xiaobo Hu, Shaoqiang Chen, Qunliang Song, Tingwei Zhou*, Donghwa Lee, Pengjun Zhao, Cong Chen*, Hua Yang, Qianqian Lin, Zhigang Zang*, Jiangzhao Chen* , "Ion migration suppression mechanism via 4-sulfobenzoic acid monopotassium salt for 22.7% stable perovskite solar cells", Science China Materials, 65, 3368-3381 (2022).
https://doi.org/10.1007/s40843-022-2060-9

Baibai Liu, Jie Hu, Dongmei He, Le Bai, Qian Zhou, Wenqi Wang, Cunyun Xu, Qunliang Song, Donghwa Lee, Pengjun Zhao*, Feng Hao, Xiaobin Niu*, Zhigang Zang*, Jiangzhao Chen*, "Simultaneous Passivation of Bulk and Interface Defects with Gradient 2D/3D Heterojunction Engineering for Efficient and Stable Perovskite Solar Cells", ACS Appl. Mater. Interfaces, 14, 21079-21088 (2022).
https://doi.org/10.1021/acsami.2c04374

Jangseop Lee, Seong Hun Kim, Sangmin Lee, Sanghyun Ban, Seongjae Heo, Donghwa Lee, Oleksandr Mosendz, Hyunsang Hwang, "Improving the SiGeAsTe Ovonic Threshold Switching (OTS) Characteristics by Microwave Annealing for Excellent Endurance (> 10¹¹) and Low Drift Characteristics", IEEE VLSI Symposium 2022. (2022).

Youngkwang Kim, June Ho Lee, Young Hwa Jung, Donghwa Lee*, Junwoo Son*, ""Cooperative coupling of anisotropic phonon modes intensifies visible thermochromism in layered α-MoO3"", Materials Horizon, 9, 1631-1640 (2022).
https://doi.org/10.1039/d2mh00090c

Seungwoo Lee, Seong Hun Kim, Seungyeol Oh, Donghwa Lee, Hyunsang Hwang*, "Effect of the Oxygen Composition Control of HfOx Films on Threshold and Memory Switching Characteristics for Hybrid Memory Applications", Adv. Electronic Mater., 8, 2101257 (2022).
https://doi.org/10.1002/aelm.202101257

Wan Jae Dong, Ishtiaque Ahmed Navid, Yixin Xiao, Tae Hyung Lee, Jin Wook Lim, Donghwa Lee, Ho Won Jang*, Jong-Lam Lee*, Zetian Mi*, "Bi catalysts supported on GaN nanowires toward efficient photoelectrochemical CO2 reduction", J. Mater. Chem. A, 10, 7869-7877 (2022).
https://doi.org/10.1039/d2ta00032f

Gyujin Song, June Ho Lee, Sangyeop Lee, Dong-Yeob Han, Sungho Choi, Myung-Jun Kwak, Ji-Hyun Jang, Donghwa Lee*, Soojin Park*, "Highly stable germanium microparticle anodes with a hybrid conductive shell for high volumetric and fast lithium storage", ACS Appl. Mater. Interfaces, 14, 750-760 (2022).
https://pubs.acs.org/doi/10.1021/acsami.1c18607

Dongmei He, Tingwei Zhou, Baibai Liu, Le Bai, Wenqi Wang, Hongkuan Yuan, Cunyun Xu, Qunliang Song, Donghwa Lee, Zhigang Zang*, Liming Ding*, Jiangzhao Chen*, "Interfacial defect passivation by novel phosphonium salts yields 22% efficiency perovskite solar cells: experimental and theoretical evidence", EcoMat, 4, e12158 (2022).
https://doi.org/10.1002/eom2.12158

Seung Ju Kim, Tae Hyung Lee, June-Mo Yang, Jin Wook Yang, Yoon Jung Lee, Min-Ju Choi, Sol A Lee, Jun Min Suh, Kyung Ju Kwak, Ji Hyun Baek, In Hyuk Im, Da Eun Lee, Jae Young Kim, Jaehyun Kim, Ji Su Han, Soo Young Kim, Donghwa Lee*, Nam-Gyu Park*, Ho Won Jang*, "Vertically aligned two-dimensional halide perovskites for reliably operable artificial synapses", Mater. Today, 52, 19-30 (2022).
https://doi.org/10.1016/j.mattod.2021.10.035

Wenqi Wang, Qian Zhou, Dongmei He, Baibai Liu, Le Bai, Cunyun Xu, Qunliang Song, Pengjun Zhao, Cong Chen, Kuan Sun, Hua Yang, Zhigang Zang, Donghwa Lee* ,Jiangzhao Chen*, "Self-formed multifunctional grain boundary passivation layer achieving 22.4% efficient and stable perovskite solar cells", Solar RRL, 6, 2100893 (2021).
https://doi.org/10.1002/solr.202100893

Sangmin Lee, Jangsub Lee, Seong Hun Kim, Donguk Lee, Donghwa Lee, Hyunsang Hwang*, "Mg-Te OTS selector with Low Ioff ( < 100 pA), Fast Switching Speed (τd = 7 ns), and High Thermal Stability (400 °C / 30min) for X-point Memory Applications", 2021 Symposium on VLSI Technology, 1-2 (2021).
https://ieeexplore.ieee.org/abstract/document/9508648

Xin Zuo, Bohyung Kim, Baibai Liu, Dongmei He, Le Bai, Wenqi Wang, Cunyun Xu, Qunliang Song, Chunyang Jia, Zhigang Zang, Donghwa Lee*, Xiong Li*, Jiangzhao Chen*, "Passivating buried interface via self-assembled novel sulfonium salt toward stable and efficient perovskite solar cells", Chem. Eng. J., 431, 133209 (2021).
https://doi.org/10.1016/j.cej.2021.133209

Seonghwa Jeong, Seongrok Seo, Hyunwoo Yang, Hyoungmin Park, Sooeun Shin, Hyungju Ahn, Donghwa Lee, Jong Hyeok Park*, Nam-Gyu Park*, Hyunjung Shin*, "Cyclohexylammonium-Based 2D/3D Perovskite Heterojunction with Funnel-Like Energy Band Alignment for Efficient Solar Cells (23.91%)", Adv. Energy Mater., 11, 2102236 (2021).
https://doi.org/10.1002/aenm.202102236

Eun Ho Kim, June Ho Lee, Seong Hun Kim, Jun Hyeong Gu, Donghwa Lee*, "A-site effect on oxidation process of Sn-halide perovskite: first-principles calculations", J. Phys. Chem. Lett., 12, 9691-9696 (2021).
https://doi.org/10.1021/acs.jpclett.1c03033

Odongo Francis Ngome Okello, Kyung-Yeon Doh, Hye Su Kang, Kyung Song, Yong-Tae Kim, Kwang Ho Kim, Donghwa Lee*, Si-Young Choi*, "Visualization of transition metal decoration on h-BN surface", Nano Lett., 21, 10562-10569 (2021).
https://doi.org/10.1021/acs.nanolett.1c02198

Do Hyung Chun, Yunseop Shin, Eun Ho Kim, Yung Ji Choi, Ryan Rhee, Donghwa Lee*, Dongho Kim*, Jong Hyeok Park*, "Unnatural Hygroscopic Property of Nicotinic Acid by Restructuring Molecular Density: Self-Healing Halide Perovskites", J. Phys. Chem. Lett., 12, 8932-8938 (2021).
https://doi.org/10.1021/acs.jpclett.1c02318

Anupam Giri*, Manish Kumar, Jaeseon Kim, Monalisa Pal, Writam Banerjee, Revannath Dnyandeo Nikam, Junghyeok Kwak, Minsik Kong, Seong Hun Kim, Kaliannan Thiyagarajan, Geonwoo Kim, Hyunsang Hwang, Hyun Hwi Lee, Donghwa Lee*, Unyong Jeong*, "Surface diffusion and epitaxial self-planarization for wafer-scale single grain metal chalcogenide thin films", Adv. Mater., 33, 2102252 (2021).
https://doi.org/10.1002/adma.202102252

Pengyu Su, Le Bai, Huan Bi, Baibai Liu, Shi Chen, Donghwa Lee, Hua Yang, Cong Chen*, Zhigang Zang, Jiangzhao Chen*, "Interfacial gradient energy band alignment modulation via ion exchange reaction toward efficient and stable methylammonium-free Dion-Jacobson quasi-2D perovskite solar cells", J. Power Sources, 506, 230213 (2021).
https://doi.org/10.1016/j.jpowsour.2021.230213

Pengyu Su, Le Bai, Huan Bi, Baibai Liu, Dongmei He, Wenqi Wang, Xiaobing Cao*, Shi Chen, Donghwa Lee, Hua Yang, Zhigang Zang, Jiangzhao Chen*, "Crystal Orientation Modulation and Defect Passivation for Efficient and Stable Methylammonium-Free Dion-Jacobson Quasi-2D Perovskite Solar Cells", ACS Appl. Mater. Interfaces, 13, 29567-29575 (2021).
https://pubs.acs.org/doi/10.1021/acsami.1c05498

Changhyo Sun, Sang-Jin Ko, Soonho Jung, Donghwa Lee, Jung Gu Kim*, Yunseok Kim*, "Visualization of electrochemical behavior in carbon steel assisted by machine learning", Appl. Surf. Sci., 563, 150412 (2021).
https://doi.org/10.1016/j.apsusc.2021.150412

Writam Banerjee*, Seong Hun Kim, Seungwoo Lee, Donghwa Lee, Hyunsang Hwang*, "Deep Insight into Steep-Slope Threshold Switching with Record Selectivity (> 4×10^10) Controlled by Metal-Ion Movement through Vacancy-Induced-Percolation Path: Quantum-Level Control of Hybrid-Filament", Adv. Funct. Mater., 31, 2104054 (2021).
https://doi.org/10.1002/adfm.202104054

Dennis Meier*, Nagarajan Valanoor, Qi Zhang, Donghwa Lee, "Domains and domain walls in ferroic materials", J. Appl. Phys., 129, 230401 (2021).
https://doi.org/10.1063/5.0057144

Writam Banerjee*, Seong Hun Kim, Seungwoo Lee, Donghwa Lee, Hyungsang Hwang*, "An efficient approach based on tuned nanoionics to maximize memory charactristics in Ag-based devices", Adv. Electronic Mater., 7, 2100022 (2021).
https://doi.org/10.1002/aelm.202100022

Youngjun Park, Seong Hun Kim, Donghwa Lee*, Jang-Sik Lee*, "Designing zero-dimensional dimer-type all-inorganic perovskites for ultra-fast switching memory", Nat. Commun., 12, 3527 (2021).
https://doi.org/10.1038/s41467-021-23871-w

Gyuri Park, Byunghwa Kang, Soyeon Park, Donghwa Lee*, Seung Soo Oh*, "A unified computational view of DNA duplex, triplex, tetraplex and their donor-acceptor interactions", Nucleic Acids Research, 49, 4919-4933 (2021).
https://doi.org/10.1093/nar/gkab285

Jun Min Suh, Ki Chang Kwon, Tae Hyung Lee, Changyeon Kim, Chung Won Lee, Young Geun Song, Seokhoon Choi, Sung Hwan Cho, Mohammadreza Shokouhimehr, Chong-Yun Kang, Young-Seok Shim, Donghwa Lee*, Ho Won Jang*, "Edge-exposed WS2 on 1D Nanostructures for Highly Selective NO2 Sensor at Room Temperature", Sensors and Actuators B:Chemical, 333, 129566 (2021).
https://doi.org/10.1016/j.snb.2021.129566

Younghoon Kim, Pronoy Nandi, Donghwa Lee, Hyunjung Shin*, "Stabilization of 3-D Trigonal Phase in Guanidinium (C(NH2)3) Lead Triiodide (GAPbI3)", Appl. Surf. Sci., 542, 148575 (2021).
https://doi.org/10.1016/j.apsusc.2020.148575

Jin Woo Park, Yeongsu Lim, Kyung-Yeon Doh, Min Tai Jung, Young In Jeon, In Seok Yang, Hyeon-seo Choi, Jeongho Kim*, Donghwa Lee*, Wan In Lee*, "Enhancement of the photovoltaic properties of Ag2BiI5 by Cu doping", Sustain. Energy Fuels, 5, 1439-1447 (2021).
https://doi.org/10.1039/D0SE01563F

Changhyuck Sung, Seong Hun Kim, Myounghoon Kwak, Donghwa Lee, Hyunsang Hwang*, "Hybrid Memory Device (Memory/Selector) with Scalable and Simple Structure for XNOR-based Neural Network Applications", Adv. Electronic Mater., 7, 2000881 (2021).
https://doi.org/10.1002/aelm.202000881

Yong Hee Jo, Junha Yang, Won-Mi Choi, Kyung-Yeon Doh, Donghwa Lee, Hyoung Seop Kim, Byeong-Joo Lee, Seok Su Sohn*, Sunghak Lee*, "Body-centered-cubic martensite and the role on room-temperature tensile properties in Si-added SiVCrMnFeCo high-entropy alloys", J. Mater. Sci. Technol., 76, 222-230 (2021).
https://doi.org/10.1016/j.jmst.2020.10.038

Writam Banerjee, Ilya V.Karpov, Ashish Agrawal, Seong Hun Kim, Seungwoo Lee, Sangmin Lee, Donghwa Lee, Hyunsang Hwang, "Highly-stable (< 3% fluctuation) Ag-based Threshold Switch with Extreme-low OFF Current of 0.1 pA, Extreme-high Selectivity of 109 and High Endurance of 109", IEEE International Electron Devices Meeting, 1-4 (2020).
https://doi.org/10.1109/iedm13553.2020.9371960

June Ho Lee, Seong Hun Kim, Kyung-Yeon Doh, Eun Ho Kim, Donghwa Lee*, "First-Principles Investigations to Evaluate Spin-Polarized Metal-to-Insulator Transition of Halide Cuprite Perovskites for Smart Windows", J. Am. Chem. Soc., 142, 14859–14863 (2020).
https://doi.org/10.1021/jacs.0c07529

Wan Jae Dong, Chul Jong Ryu, Jin Wook Lim, Jae Yong Park, Kisoo Kim, Sungjoo Kim, Donghwa Lee, Jong-Lam Lee, "Tailoring electronic structure of bifunctional Cu/Ag layered electrocatalysts for selective CO2 reduction to CO and CH4", Nano Energy, 78, 105168 (2020).
https://doi.org/10.1016/j.nanoen.2020.105168

Ju-Hyun Jung, Seong Hun Kim, Donghwa Lee*, Jang-Sik Lee*, "Metal-Halide Perovskite Design for Next-Generation Memories: First-Principles Screening and Experimental Verification", Adv. Science, 7, 2001367 (2020).
https://doi.org/10.1002/advs.202001367

Yong Hee Jo, Junha Yang, Kyung-Yeon Doh, Woojin An, Dae Woong Kim, Hyokyung Sung, Donghwa Lee, Hyoung Seop Kim, Seok Su Sohn*, Sunghak Lee*, "Analysis of damage-tolerance of TRIP-assisted V10Cr10Fe45Co30Ni5 high-entropy alloy at room and cryogenic temperatures", J. Alloys Compd., 844, 156090 (2020).
https://doi.org/10.1016/j.jallcom.2020.156090

Yunkyu Park, Gi-Yeop Kim, Daseob Yoon, Hyeon Han, Younghak Kim, Donghwa Lee, Si-Young Choi, Junwoo Son, "Directional ionic transport across the oxide interface enables low-temperature epitaxy of rutile TiO2", Nat. Commun., 11, 1401 (2020).
https://doi.org/10.1038/s41467-020-15142-x

Yonghun Shin, Kyung-Yeon Doh, Seong Hun Kim, June Ho Lee, Hohan Bae, Sun-Ju Song, Donghwa Lee*, "Effect of Oxygen vacancies on Electrical conductivity of La0.5Sr0.5FeO3-δ from First-Principles calculations", J. Mater. Chem. A, 8, 4784-4789 (2020).
https://doi.org/10.1039/C9TA12734H

Tae Hyung Lee, Sol A Lee, Hoonkee Park, Min-Ju Choi, Donghwa Lee*, Ho Won Jang*, "Understanding the Enhancement of the Catalytic Properties of Goethite by Transition Metal Doping: Critical Role of O* Formation Energy Relative to OH* and OOH*", ACS Appl. Energy Mater., 3, 1634-1643 (2020).
https://doi.org/10.1021/acsaem.9b02140

Hyojin Yoon, Yongjin Kim, Ethan J. Crumlin, Donghwa Lee, Kyuwook Ihm, Junwoo Son, "Direct probing of oxygen loss from the surface lattice of correlated oxides during hydrogen spillover", J. Phys. Chem. Lett., 10, 7285−7292 (2019).
https://doi.org/10.1021/acs.jpclett.9b02670

Noho Lee, Il Yong Choi, Kyung-Yeon Doh, Jaewon Kim, Si-Young Choi, Donghwa Lee, Jong Kyu Kim, "Enhanced catalytic activity of Edge-Exposed 1T-WS2/WO3 nanohelix array for efficient water splitting", J. Mater. Chem. A, 7, 26378-26384 (2019).
https://doi.org/10.1039/C9TA07926B

Eun-Suk Choi, June-Mo Yang , Seul-Gi Kim, Can Cuhadar, So-Yeon Kim, Seong Hun Kim, Donghwa Lee*, Nam-Gyu Park, "The effect of compositional engineering of imidazolium lead iodide on the resistive switching properties", Nanoscale, 11, 14455-14464 (2019).
https://doi.org/10.1039/C9NR02885D

Yong Hee Jo, Kyung-Yeon Doh, Dong Geun Kim, Kwanho Lee, Hyokyung Sung , Seok Su Sohn , Donghwa Lee, Hyoung Seop Kim, Byeong-Joo Lee, Sunghak Lee, "Cryogenic-temperature fracture toughness analysis of non-equi-atomic V₁₀Cr₁₀Fe₄₅Co₂₀Ni₁₅ high-entropy alloy", J. Alloys Compd., 809, 151864 (2019).
https://doi.org/10.1016/j.jallcom.2019.151864

Jongmyung Yoo, Seong Hun Kim, Solomon Amsalu Chekol, Jaehyuk Park, Changhyuck Sung, Jeonghwan Song, Donghwa Lee, Hyunsang Hwang, "3D Stackable and Scalable Binary Ovonic Threshold Switch Devices with Excellent Selectivity and Thermal Stability for High-density Cross-point Memory Applications", Adv. Electronic Mater., 5, 1900196 (2019).
https://doi.org/10.1002/aelm.201900196

Seong Hun Kim, Donghwa Lee*, "Role of charge trapping Iodine Frenkel defects for hysteresis in organic-inorganic hybrid Perovskite from First-Principles calculations", J. Phys. Chem. C, 123, 9629-9633 (2019).
https://doi.org/10.1021/acs.jpcc.9b01770

Sunihl Ma, Seong Hun Kim, Beomjin Jeong, Hyeok-Chan Kwon, Seong-Cheol Yun, Gyumin Jang,  Hyunha Yang,  Cheolmin Park, Donghwa Lee*, Jooho Moon, "Strain-Mediated Stabilization of α-CsPbI₃ Perovskite by Confined Growth inside Vertically Aligned Nanoporous Anodized Aluminum Oxide Template", Small, 15, 1900219 (2019).
https://doi.org/10.1002/smll.201900219

Yeonhoo Kim, Yong Seok Choi, Seo Yun Park, Taehoon Kim, Seung-Pyo Hong, Tae Hyung Lee, Cheon Woo Moon, Jong-Heun Lee, Donghwa Lee*, Byung Hee Hong, Ho Won Jang, "Au decoration of a graphene microchannel for self-activated chemoresistive flexible gas sensors with substantially enhanced response to hydrogen", Nanoscale, 11, 2966-2973 (2019).
https://doi.org/10.1039/c8nr09076a

Y.H. Jo, D.G. Kim, M.C. Jo, Kyung-Yeon Doh, S.S. Sohn, Donghwa Lee, H.S. Kim, B.J. Lee, S. Lee, "Effects of deformation–induced BCC martensitic transformation and twinning on impact toughness and dynamic tensile response in metastable VCrFeCoNi high–entropy alloy", Journal of Alloys and Compounds, 785, 1056-1067 (2019).
https://doi.org/10.1016/j.jallcom.2019.01.293

Yong Zhang, Seul-Gi Kim, Donghwa Lee, Hyunjung Shin, Nam-Gyu Park, "Bi-facial Stamping for High Efficiency Perovskite Solar Cells", Energy & Environmental Science, 12, 308-321 (2019).
https://doi.org/10.1039/C8EE02730G

Cuhadar , Can ; Kim , Seul-Gi ; Yang, June-Mo ; Seo, Ja-Young ; Donghwa Lee* ; Park, Nam-Gyu, "All-Inorganic Bismuth Halide Perovskite-like Materials A3Bi2I9 and A3Bi1.8Na0.2I8.6 (A = Rb and Cs) for Low-Voltage Switching Resistive Memory", ACS Appl. Mater. Inter., 10, 29741–29749 (2018).
https://doi.org/10.1021/acsami.8b07103

June-Mo Yang, Seul-Gi Kim, Ja-Young Seo, Can Cuhadar, Dae-Yong Son, Donghwa Lee*, Nam-Gyu Park, "1-D Hexagonal HC(NH₂)₂PbI₃ for Multilevel Resistive Switching Nonvolatile Memory", Adv. Electronic Mater., 4, 1800190 (2018).
https://doi.org/10.1002/aelm.201800190

Jaesun Song, Minji Seo, Tae Hyung Lee, Yong-Ryun Jo, Jongmin Lee, Taemin Ludvic Kim, So-Young Kim, Seung-Mo  Kim, Sang Yun  Jeong, Hyunji An, Seungkyu Kim, Byoung Hun  Lee, Donghwa  Lee, Ho Won  Jang, Bong-Joong  Kim, Sanghan Lee, "Tailoring crystallographic orientations to substantially enhance charge separation efficiency in anisotropic BiVO₄ photoanodes", ACS Catal., 8, 5952-5962 (2018).
https://doi.org/10.1021/acscatal.8b00877

Hyojin Yoon, Jaeseoung Park, Si-Young Choi, Donghwa Lee, Junwoo Son, "Facet-dependent phase control by band filling and anisotropic electron-lattice coupling in HVO₂ epitaxial films", Adv. Electronic Mater., 4, 1800128 (2018).
https://doi.org/10.1002/aelm.201800128

Ji Eun Choi, Jinkyoung Yoo, Donghwa Lee, Young Joon Hong, Takashi Fukui, "Crystal-phase intergradation in InAs nanostructures grown by van der Waals heteroepitaxy on graphene", Appl. Phys. Lett., 112, 142101 (2018).
https://doi.org/10.1063/1.5017251

Dae-Yong Son, Seul-Gi Kim, Ja-Young Seo, An-Na Cho, Seon-Hee Lee, Hyunjung Shin, Donghwa Lee, Nam-Gyu Park, "Universal Approach toward Hysteresis-Free Perovskite Solar Cell via Defect Engineering", J. Am. Chem. Soc. , 140, 1358–1364 (2018).
https://doi.org/10.1021/jacs.7b10430

Seo, Ja-Young, Jaeho Cho, Jaegyeom Kim, June-Mo Yang, Can Cuhadar, Ji Su Han, Seung-Joo Kim, Donghwa Lee, Ho Won Jang, Nam-Gyu Park, "Wafer-Scale Reliable Switching Memory based on 2-Dimensional Layered Organic-Inorganic Halide Perovskite", Nanoscale, 9, 15278-15285 (2017).
https://doi.org/10.1039/C7NR05582J

Jiangzhao Chen, Donghwa Lee*, Nam-Gyu Park, "Stabilizing the Ag Electrode and Reducing J–V Hysteresis through Suppression of Iodide Migration in Perovskite Solar Cells", ACS Appl. Mater. Inter., 9, 36338–36349 (2017).
https://doi.org/10.1021/acsami.7b07595

Yeon Hoo Kim, Ji soo Park, You-Rim Choi, Seo Yun Park, Seonyong Lee, Woonbae Sohn, Young-Seok Shim, Jong-Heun Lee, Chong Rae Park, Donghwa Lee*, Ho Won Jang, "Chemically fluorinated graphene oxide for room temperature ammonia detection at ppb levels", J. Mater. Chem. A, 5, 19116-19125 (2017).
https://doi.org/10.1039/c7ta05766k

B. Mitchell, N. Hernandez, Donghwa Lee, A. Koizumi, Y. Fujiwara, V. Dierolf, "Charge state of vacancy defects in Eu-doped GaN", Phys. Rev. B, 96, 064308 (2017).
https://doi.org/10.1103/physrevb.96.064308

Bohee Hwang, Chungwan Gu, Donghwa Lee, and Jang-Sik Lee, "Effect of Halide-Mixing on the Switching Behaviors of Organic-Inorganic Hybrid Perovskite Memory", Sci. Rep., 7, 43794 (2017).
https://doi.org/10.1038/srep43794

Nicole Adelstein, Donghwa Lee, Jonathan DuBois, KG Ray, JB Varley, Vincenzo Lordi, "Magnetic stability of oxygen defects on the SiO2 surface", AIP Adv., 7, 025110 (2017).
https://doi.org/10.1063/1.4977194

Un-Bin Han, Donghwa Lee, Jang-Sik Lee, "Reliable current changes with selectivity ratio above 10^9 observed in lightly doped zinc oxide films", NPG Asia Mater., 9, e351 (2017).
https://doi.org/10.1038/am.2017.5

Yoon Hwa Kim, Paulraj Arunkumar, Bo Young Kim, Sanjith Unithrattil, Eden Kim, Su-Hyun Moon, Jae Young Hyun, Ki Hyun Kim, Donghwa Lee, Jong-Sook Lee, Won Bin Im, "A zero thermal quenching phosphor", Nat. Mater., 16, 543-550 (2017).
https://doi.org/10.1038/nmat4843

Donghwa Lee*, V. Gopalan, and S. R. Phillpot, , "Depinning of the ferroelectric domain wall in congruent LiNbO3", Appl. Phys. Lett., 109, 082905 (2016).
https://doi.org/10.1063/1.4961614

Donghwa Lee, "The effect of domain wall on defect energetics in ferroelectric LiNbO₃ from density functional theory calculations", J. Korean Ceram. Soc., 53, 312-316 (2016).
https://doi.org/10.4191/kcers.2016.53.3.312

Su-Hyun Moon, Yoon Hwa Kim, Dong-Chun Cho, Eui-Chol Shin, Donghwa Lee, Won Bin Im, Jong-Sook Lee, "Sodium ion transport in polymorphic scandium NASICON analog Na3Sc2(PO4)3 with new dielectric spectroscopy approach for current-constriction effects", Solid State Ionics, 289, 55-71 (2016).
https://doi.org/10.1016/j.ssi.2016.02.017

Shinbuhm Lee, Tricia L. Meyer, John Nichols, Dongkyu Lee, Changhee Sohn, Donghwa Lee, S. S. Ambrose Seo, John W. Freeland, Tae Won Noh, Ho Nyung Lee, "Electronic structure and insulating gap opening in epitaxial VO2 polymorphs", APL Mater., 3, 126109 (2015).
https://doi.org/10.1063/1.4939004

Jeremy McMinis, Raymond C. Clay III, Donghwa Lee, Miguel A. Morales, "Molecular to atomic phase transition in hydrogen under high pressure", Phys. Rev. Lett., 114, 105305 (2015).
https://doi.org/10.1103/PhysRevLett.114.105305

Tuan Anh Pham, Donghwa Lee, Eric Schwegler, Giulia Galli, "Interfacial Effects on the Band Edges of Functionalized Si Surfaces in Liquid Water", J. Am. Chem. Soc., 136, 17071–17077 (2014).
https://doi.org/10.1021/ja5079865

Donghwa Lee, Jonathan DuBois, Yosuke Kanai, "Importance of Excitonic Effect in Charge Separation at Quantum-Dot/Organic Interface: First-Principles Many-Body Calculations", Nano Lett., 14, 6884–6888 (2014).
https://doi.org/10.1021/nl502894b

Karl Börjesson, Dušan Ćoso, Victor Gray, Jeffrey C. Grossman, Jingqi Guan, Charles B. Harris, Norbert Hertkorn, Zongrui Hou, Yosuke Kanai, Donghwa Lee et al., "Exploring the Potential of Fulvalene dimetals as Platforms for Molecular Solar Thermal Energy Storage: Computations, Syntheses, Structures, Kinetics, and Catalysis", Chem. Eur. J. , 20, 1-19 (2014).
https://doi.org/10.1002/chem.201404170

Donghwa Lee*, B. Mitchell, Y. Fujiwara, V. Dierolf, "Thermodynamics and Kinetics of Three Mg-H-VN complexes in Mg:GaN from Combined First-Principles Calculation and Experiment", Phys. Rev. Lett., 112, 205501 (2014).
https://doi.org/10.1103/PhysRevLett.112.205501

Donghwa Lee, Eric Schwegler, Yosuke Kanai, "Dependence of Water Dynamics on Molecular Adsorbates near Hydrophobic Surfaces: First-Principles Molecular Dynamics Study", J. Phys. Chem. C, 118, 8508-8513 (2014).
https://doi.org/10.1021/jp502850k

Donghwa Lee*, Jonathan DuBois, Vincenzo Lordi, "Identification of the local sources of paramagnetic noise in superconducting qubit devices fabricated on α-Al2O3 substrates using density-functional calculations", Phys. Rev. Lett., 112, 017001 (2014).
https://doi.org/10.1103/PhysRevLett.112.017001

Minki Hong, Donghwa Lee, Simon R. Phillpot, Susan B. Sinnott, "A Mechanism for TiO2 Formation on Stepped TiN (001) from First-Principles Calculations", J. Phys. Chem. C, 118, 384-388 (2014).
https://doi.org/10.1021/jp409494q

B. Mitchell, Donghwa Lee, D. Lee, Y. Fujiwara, V. Dierolf, "Vibrationally induced center reconfiguration in co-doped GaN:Eu, Mg epitaxial layers: local hydrogen migration vs. activation of non-radiative channels", Appl. Phys. Lett., 103, 242105 (2013).
https://doi.org/10.1063/1.4846575

B. Mitchell, Donghwa Lee, D. Lee, A. Koizumi, Y. Fujiwara, V. Dierolf, "Electron-Beam-Induced Migration of Hydrogen in Mg-doped GaN using Eu as a Probe", Phys. Rev. B, 88, 121292 (2013).
https://doi.org/10.1103/PhysRevB.88.121202

Greg Stone, Donghwa Lee, Haixuan Xu, Simon Phillpot, Volkmar Dierolf, "Local probing of the interaction between intrinsic defects and ferroelectric domain walls in lithium niobate", Appl. Phys. Lett., 102, 042905 (2013).
https://doi.org/10.1063/1.4789779

Donghwa Lee, Yosuke Kanai, "Role of Four-Fold Coordinated Titanium and Quantum Confinement in CO2 Reduction at Titania Surface", J. Am. Chem. Soc., 134, 20266-20269 (2012).
https://doi.org/10.1021/ja309871m

F. Douglas Pleticha, Donghwa Lee, Susan B. Sinnott, Igor L. Bolotin, Michael W. Majeski, Luke Hanley, "Acetylene Ion-Enhanced Bonding of PbS Nanoparticles to Quaterthiophene in Thin Films", J. Phys. Chem. C, 116, 21693-21698 (2012).
https://doi.org/10.1021/jp306668k

Harpham, M. R.; Nguyen, S. C.; Hou, Z.; Grossman, J. C.; Harris, C. B.; Mara, M. W.; Stickrath, A. B.; Kanai, Y.; Kolpak, A. M.; Donghwa Lee et al., "X-ray Transient Absorption and Picosecond IR Spectroscopy of Fulvalene(tetracarbonyl)diruthenium on Photoexcitation", Angew. Chem. Int. Ed., 51, 7692–7696 (2012).
https://doi.org/10.1002/anie.201202952

Donghwa Lee, Yosuke Kanai, "Biomimetic Carbon Nanotube for Catalytic CO2 Hydrolysis: First-Principles Investigation on the Role of Oxidation State and Metal Substitution in Porphyrin", J. Phys. Chem. Lett., 3, 1369–1373 (2012).
https://doi.org/10.1021/jz300419u

Cheng, Y.-T.; Shan, T.-R.; Devine, B.; Donghwa Lee; Liang, T.; Hinojosa, B. B.; Phillpot, S. R.; Asthagiri, A.; Sinnott, S. B., "Atomistic simulations of the adsorption and migration barriers of Cu adatoms on ZnO surfaces using COMB potentials", Surf. Sci., 606, 1280-1288 (2012).
https://doi.org/10.1016/j.susc.2012.04.007

R. K. Behera, C. Lee, Donghwa Lee, A. N. Morozovska, S. B. Sinnott, A. Asthagiri, V. Gopalan, S. R. Phillpot, "Structure and Energetics of 180° Domain Walls in PbTiO3 by Density Functional Theory", J. Phys.: Condens. Matter, 23, 175902 (2011).
https://doi.org/10.1088/0953-8984/23/17/175902

Donghwa Lee, H. Xu, V. Gopalan, V. Dierolf, S. R. Phillpot, "Shape of Ferroelectric Domains in LiNbO3 and LiTaO3 from Defect/Domain-Wall Interactions", Appl. Phys. Lett., 98, 092903 (2011).
https://doi.org/10.1063/1.3560343

H. Xu, Donghwa Lee, S. B. Sinnott, V. Gopalan, V. Dierolf, S. R. Phillpot, "Interactions of Defects and Domain Walls in LiNbO3 – Insights from Simulation", IOP Conf. Ser.: Mater. Sci. Eng., 15, 012003 (2010).
https://doi.org/10.1088/1757-899X/15/1/012003

H. Xu, A. Chernatynskiy, Donghwa Lee, S. B. Sinnott, V. Gopalan, V. Dierolf, S. R. Phillpot, "Stability and charge transfer levels of extrinsic defects in LiNbO3", Phys. Rev. B, 82, 184109 (2010).
https://doi.org/10.1103/PhysRevB.82.184109

A. Vasudevarao, A.N. Morozovska, S. Bhattacharyya, Donghwa Lee, S. Jesse, I. Grinberg, Y. Li, S. Choudhury, P. Wu, K. Seal, A.M. Rappe, S.V. Svechnikov, E.A. Eliseev, S. R. Phillpot, L.Q. Chen, V. Gopalan, S.V. Kalinin, "Correlated polarization switching in the proximity of a 180 degrees domain wall", Phys. Rev. B, 82, 024111 (2010).
https://doi.org/10.1103/PhysRevB.82.024111

Donghwa Lee, H. Xu, V. Gopalan, V. Dierolf, S. R. Phillpot, "Structure and Energetics of Ferroelectric Domain Walls in LiNbO3 from atomic level simulations", Phys. Rev. B, 82, 014104 (2010).
https://doi.org/10.1103/PhysRevB.82.014104

Bryce Devine, I. Jang, T. Kemper, Donghwa Lee, J. D. Gale, N. Iordanova, S. B. Sinnott, "Multilevel Computational Analysis of Fluorocarbon Polyatomic Deposition on Diamond", J. Phys. Chem. C, 114, 12535-12544 (2010).
https://doi.org/10.1021/jp100667n

H. Xu , Donghwa Lee, S. B. Sinnott, V. Gopalan, V. Dierolf, S. R. Phillpot, "Structure and diffusion of intrinsic defect complexes in LiNbO3 from density functional theory calculations", J. Phys: Condens. Matter, 22, 135002 (2010).
https://doi.org/10.1088/0953-8984/22/13/135002

Donghwa Lee, R. K. Behera, P. Wu, H. Xu, S. B. Sinnott, S. R. Phillpot, L.-Q. Chen, V. Gopalan, "Mixed Bloch-Néel-Ising character of 180° ferroelectric domain walls", Phys. Rev. B, 80, 060102 (2009).
https://doi.org/10.1103/PhysRevB.80.060102

H. Xu, Donghwa Lee, S. B. Sinnott, V. Gopalan, V. Dierolf, S. R. Phillpot, "Structure and energetics of Er defects in LiNbO3 from first-principles and thermodynamic calculations", Phys. Rev. B, 80, 144104 (2009).
https://doi.org/10.1103/PhysRevB.80.144104

H. Xu, Donghwa Lee, J. He, S. B. Sinnott, V. Gopalan, V. Dierolf, S. R. Phillpot, "Stability of Intrinsic Defects and Defect Clusters in LiNbO3 from Density Functional Theory Calculations", Phys. Rev. B, 78, 174103 (2008).
https://doi.org/10.1103/PhysRevB.78.174103

Eun Ho Kim, Jun Hyeong Gu, Hyo Gyeong Shin, Changhun Kim, Sangwoo Park, Donghwa Lee*, "Generative model for large-cell crystal structure" (submitted).

Jun Hyeong Gu, Hyeon Kim, Eun Ho Kim, Changhun Kim, Hyo Gyeong Shin, Donghwa Lee*, "From High-Throughput Discovery to Molecular Design Principles of Multi-Redox Lithium-ion Organic Cathodes", Energy Storage Mater., 84, 104873 (202601).
https://doi.org/10.1016/j.ensm.2026.104873

Hyo Gyeong Shin, Seong Hun Kim, Eun Ho Kim, Jun Hyeong Gu, Jaeseon Kim, Seon-Gyu Kim, Shin Hyun Kim, Hyo Kim, Sunghyun Kim, Duk-Hyun Choe, Donghwa Lee*, "Charge Integrated Graph Neural Network-Based Machine Learning Potential for Amorphous and Non-Stoichiometric Hafnium Oxide", Npj Comput. Mater., 11, 382 (202512).
https://doi.org/10.1038/s41524-025-01864-3

Hyo Gyeong Shin, Eun Ho Kim, Jaeseon Kim, Hyo Kim, Donghwa Lee*, "Ruddlesden-Popper Tolerance Factor: An Indicator Predicting Stability of 2D Ruddlesden-Popper Phases", Acta Mater., 292, 120999 (202506).
https://doi.org/10.1016/j.actamat.2025.120999

Hyeon Kim, Seong Hun Kim, Jaeseon Kim, Eun Ho Kim, Jun Hyeong Gu, Donghwa Lee*, "A keyword-based approach to analyzing scientific research trends: ReRAM present and future", Sci. Rep., 15, 12011 (202504).
https://doi.org/10.1038/s41598-025-93423-5

Eun Ho Kim, Jun Hyeong Gu, June Ho Lee, Seong Hun Kim, Jaeseon Kim, Hyo Gyeong Shin, Shin Hyun Kim, Donghwa Lee*, "Boosting–Crystal Graph Convolutional Neural Network for Predicting Highly Imbalanced Data: A Case Study for Metal-Insulator Transition Materials", ACS Appl. Mater. Interfaces, 16, 43734-43741 (202409).
https://pubs.acs.org/doi/10.1021/acsami.4c07851

Suyun Chae, Eunji Ahn, Yonghun Shin, June Ho Lee, Hyomin Hong, Donghwa Lee*, "Critical Role of B-site Cation in ABO2.5-type Brownmillerite Proton Conductor: A First-Principles Study" (submitted).

Won Jin Jang, Hyeon Kim, Jimin Park, Donghwa Lee*, and Soo Young Kim*, "Conjugated Anion Modulation for Extended Defect Passivation at Buried Interfaces in Perovskite Solar Cells" (submitted).

Yonghun Shin, Kyung-Yeon Doh, Jun Ho Lee, Shin Hyun Kim, and Donghwa Lee*, "Synergistic Interplay of Acceptor and Isovalent Co-doping on BaZrO3-based Proton Conducting Oxides: A First-Principles Study" (submitted).

Sangyeop Lee, Suyun Chae, Hyeongseok Shim, Yubin Lee, Dong-Yeob Han, Sinho Choi, Gyujin Song*, Donghwa Lee*, Soojin Park*, "Geometric Remodeling of Silicon Crystal Structure Through Atomic-Level Fluorine Incorporation for High-Performance Lithium-Ion Batteries", Adv. Energy Mater., e04961 (202601).
https://doi.org/10.1002/aenm.202504961

Jun Hyeong Gu, Hyeon Kim, Eun Ho Kim, Changhun Kim, Hyo Gyeong Shin, Donghwa Lee*, "From High-Throughput Discovery to Molecular Design Principles of Multi-Redox Lithium-ion Organic Cathodes", Energy Storage Mater., 84, 104873 (202601).
https://doi.org/10.1016/j.ensm.2026.104873

Young Sun Park, Jaerim Kim, Subin Moon, Eunji Ahn, Hyeonwoong Hwang, Sang-Hoon You, Juwon Lee, Chang-Seop Jeong, Wooyong Jeong, Hyoung-il Kim, Yong-Tae Kim, Kug-Seung Lee, Donghwa Lee, Jong Kyu Kim*, Jooho Moon*, "Efficient Solar-Driven Hydrogen Peroxide Production Enabled by Perovskite Electrochemical Device Integrated with a Cobalt-Based Chiral Catalyst", Energy Environ. Sci., 1, 312-326 (202511).
https://doi.org/10.1039/D5EE04313A

Changhyun Lim, Hyogyun Roh, Hyeon Kim, Dayoung Kwon, Okkyun Seo, Jiayi Tang, Takeshi Watanabe, Wooyul Kim, Donghwa Lee*, Kijung Yong*, "Selective and Long-Term Stable Ammonia Electrolysis Using Pt–WO_x Catalysts with Suppressed NO_x Formation and Enhanced Activity", Adv. Sci., 13, e15944 (202510).
http://doi.org/10.1002/advs.202515944

Jaeyeon Oh, Hyeon Kim, Sungjin Cho, Jaegun Sim, Seungwook Choi, Ansoon Kim, Woo Lee, Seongpil An*, Byung Hee Hong*, Donghwa Lee*, Yeonhoo Kim*, "Electrochemically Chlorinated Graphene for Ultrafast NO₂ Detection at Room Temperature", J. Mater. Chem. A, 13, 39704-39713 (202509).
https://doi.org/10.1039/d5ta05009j

Won Jin Jang, Eun Ho Kim, Jin Hyuk Cho, Donghwa Lee*, Soo Young Kim*, "Elucidating the Role of Alkali Metal Carbonates in Impact on Oxygen Vacancies for Efficient and Stable Perovskite Solar Cells", Adv. Sci., 11, 2406657 (202407).
https://doi.org/10.1002/advs.202406657

Jinsil Lee, Yonghun Shin, Taeyun Kim, Wooseon Choi, Min-Hyoung Jung, Young-Min Kim, Kyung Joong Yoon, Hu Young Jeong, Donghwa Lee*, Jong Hoon Joo*, "Phase Stability of Perovskite Oxide Electrodes under Operating Condition in Solid Oxide Fuel Cell", Chem. Mater., 36, 2933-2943 (202403).
https://doi.org/10.1021/acs.chemmater.3c03283

Chaeeun Lim, Hyogyun Roh, Eun Ho Kim, Hangyeol Kim, Taiho Park, Donghwa Lee, Kijung Yong*, "Energy-Efficient and Self-Powered Green Ammonia Synthesis by Electrochemical Nitrate Reduction Combined with Hydrazine Oxidation", Small, 19, 2304274 (202308).
https://doi.org/10.1002/smll.202304274

Jihye Park, Jun Hyeong Gu, Myeong Ju Lee, Sun Hwa Park, Junghoon Jahng, Donghwa Lee, Young-Gi Lee, Hosun Shin*, Jung-Yong Lee*, Jae Yong Song*, "Spontaneous electrochemical stabilization of nanostructured organic electrodes by field induced charge-transfer", Energy Storage Mater., 61, 102896 (202307).
https://doi.org/10.1016/j.ensm.2023.102896

Sang-Hoon You, Hyejin Lee, Eunji Ahn, Kyu-Su Kim, Byung-Jo Lee, Dongwon Shin, Vinod K Paidi, Donghwa Lee*, Byungchan Bae*, Kug‐Seung Lee*, Yong-Tae Kim*, "Enhancement of the Hydrogen Oxidation Reaction in Alkaline Media via Bi-functional Effect using Tantalum as Oxophilic Agent on NiMo/C", ACS Catalysis, 13, 6813-6822 (202305).
https://doi.org/10.1021/acscatal.2c05816

Byunghwa Kang, Gyuri Park, Seong Hun Kim, Donghwa Lee, Seung Soo Oh*, "Noncovalent minimal assembly of exogenous histamine with hemin cofactor as a peroxidase-mimicking cooperative catalyst", Iscience, 25, 105257 (2022).
https://doi.org/10.1016/j.isci.2022.105257

Kyoungwon Choi, Dae Hwan Lee, Wooteak Jung, Sungryong Kim, Seong Hun Kim, Donghwa Lee, Seulki Song*, Taiho Park*, "3D Interaction of Zwitterions for Highly Stable and Efficient Inorganic CsPbI3 Solar Cells", Adv. Functional Mater., 32, 2112027 (2022).
https://doi.org/10.1002/adfm.202112027

Le Bai, Fang Yao, Rui Wang, Baibai Liu, Dongmei He, Qian Zhou, Wenqi Wang, Cunyun Xu, Xiaobo Hu, Shaoqiang Chen, Qunliang Song, Tingwei Zhou*, Donghwa Lee, Pengjun Zhao, Cong Chen*, Hua Yang, Qianqian Lin, Zhigang Zang*, Jiangzhao Chen* , "Ion migration suppression mechanism via 4-sulfobenzoic acid monopotassium salt for 22.7% stable perovskite solar cells", Science China Materials, 65, 3368-3381 (2022).
https://doi.org/10.1007/s40843-022-2060-9

Baibai Liu, Jie Hu, Dongmei He, Le Bai, Qian Zhou, Wenqi Wang, Cunyun Xu, Qunliang Song, Donghwa Lee, Pengjun Zhao*, Feng Hao, Xiaobin Niu*, Zhigang Zang*, Jiangzhao Chen*, "Simultaneous Passivation of Bulk and Interface Defects with Gradient 2D/3D Heterojunction Engineering for Efficient and Stable Perovskite Solar Cells", ACS Appl. Mater. Interfaces, 14, 21079-21088 (2022).
https://doi.org/10.1021/acsami.2c04374

Wan Jae Dong, Ishtiaque Ahmed Navid, Yixin Xiao, Tae Hyung Lee, Jin Wook Lim, Donghwa Lee, Ho Won Jang*, Jong-Lam Lee*, Zetian Mi*, "Bi catalysts supported on GaN nanowires toward efficient photoelectrochemical CO2 reduction", J. Mater. Chem. A, 10, 7869-7877 (2022).
https://doi.org/10.1039/d2ta00032f

Dongmei He, Tingwei Zhou, Baibai Liu, Le Bai, Wenqi Wang, Hongkuan Yuan, Cunyun Xu, Qunliang Song, Donghwa Lee, Zhigang Zang*, Liming Ding*, Jiangzhao Chen*, "Interfacial defect passivation by novel phosphonium salts yields 22% efficiency perovskite solar cells: experimental and theoretical evidence", EcoMat, 4, e12158 (2022).
https://doi.org/10.1002/eom2.12158

Wenqi Wang, Qian Zhou, Dongmei He, Baibai Liu, Le Bai, Cunyun Xu, Qunliang Song, Pengjun Zhao, Cong Chen, Kuan Sun, Hua Yang, Zhigang Zang, Donghwa Lee* ,Jiangzhao Chen*, "Self-formed multifunctional grain boundary passivation layer achieving 22.4% efficient and stable perovskite solar cells", Solar RRL, 6, 2100893 (2021).
https://doi.org/10.1002/solr.202100893

Xin Zuo, Bohyung Kim, Baibai Liu, Dongmei He, Le Bai, Wenqi Wang, Cunyun Xu, Qunliang Song, Chunyang Jia, Zhigang Zang, Donghwa Lee*, Xiong Li*, Jiangzhao Chen*, "Passivating buried interface via self-assembled novel sulfonium salt toward stable and efficient perovskite solar cells", Chem. Eng. J., 431, 133209 (2021).
https://doi.org/10.1016/j.cej.2021.133209

Seonghwa Jeong, Seongrok Seo, Hyunwoo Yang, Hyoungmin Park, Sooeun Shin, Hyungju Ahn, Donghwa Lee, Jong Hyeok Park*, Nam-Gyu Park*, Hyunjung Shin*, "Cyclohexylammonium-Based 2D/3D Perovskite Heterojunction with Funnel-Like Energy Band Alignment for Efficient Solar Cells (23.91%)", Adv. Energy Mater., 11, 2102236 (2021).
https://doi.org/10.1002/aenm.202102236

Eun Ho Kim, June Ho Lee, Seong Hun Kim, Jun Hyeong Gu, Donghwa Lee*, "A-site effect on oxidation process of Sn-halide perovskite: first-principles calculations", J. Phys. Chem. Lett., 12, 9691-9696 (2021).
https://doi.org/10.1021/acs.jpclett.1c03033

Do Hyung Chun, Yunseop Shin, Eun Ho Kim, Yung Ji Choi, Ryan Rhee, Donghwa Lee*, Dongho Kim*, Jong Hyeok Park*, "Unnatural Hygroscopic Property of Nicotinic Acid by Restructuring Molecular Density: Self-Healing Halide Perovskites", J. Phys. Chem. Lett., 12, 8932-8938 (2021).
https://doi.org/10.1021/acs.jpclett.1c02318

Pengyu Su, Le Bai, Huan Bi, Baibai Liu, Shi Chen, Donghwa Lee, Hua Yang, Cong Chen*, Zhigang Zang, Jiangzhao Chen*, "Interfacial gradient energy band alignment modulation via ion exchange reaction toward efficient and stable methylammonium-free Dion-Jacobson quasi-2D perovskite solar cells", J. Power Sources, 506, 230213 (2021).
https://doi.org/10.1016/j.jpowsour.2021.230213

Pengyu Su, Le Bai, Huan Bi, Baibai Liu, Dongmei He, Wenqi Wang, Xiaobing Cao*, Shi Chen, Donghwa Lee, Hua Yang, Zhigang Zang, Jiangzhao Chen*, "Crystal Orientation Modulation and Defect Passivation for Efficient and Stable Methylammonium-Free Dion-Jacobson Quasi-2D Perovskite Solar Cells", ACS Appl. Mater. Interfaces, 13, 29567-29575 (2021).
https://pubs.acs.org/doi/10.1021/acsami.1c05498

Wan Jae Dong, Chul Jong Ryu, Jin Wook Lim, Jae Yong Park, Kisoo Kim, Sungjoo Kim, Donghwa Lee, Jong-Lam Lee, "Tailoring electronic structure of bifunctional Cu/Ag layered electrocatalysts for selective CO2 reduction to CO and CH4", Nano Energy, 78, 105168 (2020).
https://doi.org/10.1016/j.nanoen.2020.105168

Yong Zhang, Seul-Gi Kim, Donghwa Lee, Hyunjung Shin, Nam-Gyu Park, "Bi-facial Stamping for High Efficiency Perovskite Solar Cells", Energy & Environmental Science, 12, 308-321 (2019).
https://doi.org/10.1039/C8EE02730G

Dae-Yong Son, Seul-Gi Kim, Ja-Young Seo, An-Na Cho, Seon-Hee Lee, Hyunjung Shin, Donghwa Lee, Nam-Gyu Park, "Universal Approach toward Hysteresis-Free Perovskite Solar Cell via Defect Engineering", J. Am. Chem. Soc. , 140, 1358–1364 (2018).
https://doi.org/10.1021/jacs.7b10430

Jiangzhao Chen, Donghwa Lee*, Nam-Gyu Park, "Stabilizing the Ag Electrode and Reducing J–V Hysteresis through Suppression of Iodide Migration in Perovskite Solar Cells", ACS Appl. Mater. Inter., 9, 36338–36349 (2017).
https://doi.org/10.1021/acsami.7b07595

Karl Börjesson, Dušan Ćoso, Victor Gray, Jeffrey C. Grossman, Jingqi Guan, Charles B. Harris, Norbert Hertkorn, Zongrui Hou, Yosuke Kanai, Donghwa Lee et al., "Exploring the Potential of Fulvalene dimetals as Platforms for Molecular Solar Thermal Energy Storage: Computations, Syntheses, Structures, Kinetics, and Catalysis", Chem. Eur. J. , 20, 1-19 (2014).
https://doi.org/10.1002/chem.201404170

Jeong-Hwan Park, Je Oh Choi, Hyo Gyeong Shin, Sumin Lee, Jae Hyeok Huh, Seong Ju Hwang, Jun-Hyeong Lee, Donghwa Lee, Moon-Ho Jo, Jong-Hoon Kang*, "Topotactic Conversion to High-Valent Metastable 2D semimetallic W₂N₃ via Lateral Anion Exchange of Bilayer WS₂" (submitted).

Sungil Kim, June Ho Lee, Yaolong Xing, Dongchang Kim, Haeseong Jeong, Mongjun Jeong, Manuel Valvidares, Stuart S. P. Parkin, Donghwa Lee, Sang Ho Oh, Hyojin Yoon, Hyeon Han*, "Unveiling Exsolution-Induced Giant Electronic and Magnetic Property Changes in NonStoichiometric Titanate Perovskite Thin Films" (submitted).

Jaeseon Kim, Youngjun Park, June Ho Lee, Donghwa Lee*, "Acceptor-enhanced the Insulating-to-Metallic phase Transition in 2D Si₂Te₃ from First-Principles Calculations" (submitted).

Hyeon Kim, Seon-Gyu Kim, Jun Hyeong Gu, Jaeseon Kim, Donghwa Lee*, "First-Principles Study of Tungsten Nucleation and Growth on Al₂O₃ and TiN Surfaces for High-k Metal Gate Applications" (submitted).

Geonwoo Kim, Jongmin Lee, Youngjun Park, Yoonsun Choi, Chansik Choi, Kyu-Su Kim, Dongbeom Kim, Ik-Soo Kim, Arup Ghorai, Donghwa Lee*, Unyong Jeong*, "Selection of metal–tellurium (M–Te) alloy as Recyclable Controlled Te Precursors for Wafer-Scale Synthesis of M_xTe_y Thin Films", Small, e12448 (202603).
https://doi.org/10.1002/smll.202512448

Jaeseon Kim, June Ho Lee, Youngjun Park, Donghwa Lee*, "Temperature-Driven Abrupt Changes in the Electronic Structure of 2D Si₂Te₃: A First-Principles Study", Inorg. Chem., 64, 22127-22131 (202510).
https://doi.org/10.1021/acs.inorgchem.5c04084

Mostafa Habibi, Alireza Kashir*, Tony Schenk, Hojung Jang, Seungyeol Oh, Jaeseon Kim, Geonhui Kim, Donghwa Lee,  Foroozan Koushan, Hyunsang Hwang*, "Highly Reliable HZO-based FeRAM with Ultra Low Operation Voltage (< 1 V) Enabled by Stoichiometric Control of Tungsten Oxide Interfacial Layer", Adv. Mater. Technol., 10, e00507 (202507).
https://doi.org/10.1002/admt.202500507

Hyeonwoong Hwang, Hanseo Bae, Eunji Ahn,, Dongmin Lee, Hyeon Ho Cho, Sunah Cheong, Tae Yeon Kim, Jaerim Kim, Yongju Yun, Donghwa Lee, Sei Kwang Hahn*, Jong Kyu Kim*, "TiO₂ Nanohelices Decorated with Homogeneous Au‐Core Pd‐Shell Nanocatalysts for Selective Toluene Gas Detection", Small, 21, 2504976 (202507).
https://doi.org/10.1002/smll.202504976

Min Young Kim, Dongkyu Lee, June Ho Lee, Donghwa Lee, Gi-Yeop Kim, Si-Young Choi, Joseph P. Heremans, Hyungyu Jin*, "Oxygen Vacancy Defect Engineering for Transverse thermoelectric Enhancement: A Novel Extrinsic Pathway Beyond Intrinsic Approaches", Adv. Sci., 12, 2502892 (202504).
https://doi.org/10.1002/advs.202502892

June Ho Lee, Jaeseon Kim, Youngjun Park, Yonghun Shin, Eun Ho Kim, Donghwa Lee*, "Unveiling the Impact of Short-Range Order of Si-Si Dimer in 2D Si₂Te₃ from First-Principles Calculations", Small Struct., 6, 2500048 (202504).
https://doi.org/10.1002/sstr.202500048

Hyunjeong Kwak, Junyoung Choi, Seungmin Han, Eun Ho Kim, Chaeyoun Kim, Paul Solomon, Junyong Lee, Doyoon Kim, Byungha Shin, Donghwa Lee, Oki Gunawan*, Seyoung Kim*, "Unveiling ECRAM Switching Mechanisms Using Variable Temperature Hall Measurements for Accelerated AI Computation", Nat. Commun., 16, 2715 (202503).
https://doi.org/10.1038/s41467-025-58004-0

Seung Ju Kim, In Hyuk Im, Ji Hyun Baek, Sungkyun Choi, Sung Hyuk Park, Da Eun Lee, Jae Young Kim, Soo Young Kim, Nam-Gyu Park, Donghwa Lee*, J. Joshua Yang*, Ho Won Jang*, "Linearly Programmable Two-Dimensional Halide Perovskite Memristor Arrays for Neuromorphic Computing", Nature nanotech., 20, 83-92 (202410).
https://doi.org/10.1038/s41565-024-01790-3

Geonhui Han, Jaeseon Kim, Youngdong Kim, Jongseon Seo, Donghwa Lee, Hyunsang Hwang*, "Excellent Endurance (> 1013) of Charge Trap Memory based on H_xWO₃ Charge Trap Layer with Shallow Trap Level Using Hydrogen Spillover", IEEE. Electron Device Letters, 45, 1804-1807 (202410).
https://doi.org/10.1109/LED.2024.3443087

Geonhui Han, Youngdong Kim, Jaeseon Kim, Dongmin Kim, Yoori Seo, Chuljun Lee, Jinmyung Choi, Jinwoo Lee, Dongho Ahn, Sechung Oh, Donghwa Lee, Hyunsang Hwang*, "Highly Scalable Vertical Bypass RRAM (VB-RRAM) for 3D V -NAND Memory", IEEE. Symposium on VLSI Tech, 1-2 (202406).
https://doi.org/10.1109/VLSITechnologyandCir46783.2024.10631342

Jaeseon Kim, June Ho Lee, Seong Hun Kim, Youngjun Park, Unyong Jeong, Donghwa Lee*, "First-Principles Investigations on the Semiconductor-to-Metal Phase Transition of 2D Si₂Te₃ for Reversible Resistive Switching", ACS Appl. Mater. Interfaces, 15, 22212-22218 (202304).
https://doi.org/10.1021/acsami.3c01267

Jiye Kim, Kyung-Yeon Doh, Seokho Moon, Chang-Won Choi, Hokyeong Jeong, Jaewon Kim, Wonseok Yoo, Kyungwook Park, Kyeongock Chong, Chunhyng Chung, Hanmei Choi, Si-Young Choi, Donghwa Lee, Jong Kyu Kim*, "Conformal Growth of Hexagonal Boron Nitride on High-Aspect-Ratio Silicon-Based Nanotrenches", ACS Chem. Mater., 35, 2429-2438 (202303).
https://doi.org/10.1021/acs.chemmater.2c03568

Yunkyu Park, Hyeji Sim, Kyung-Yeon Doh, Minguk Jo, Donghwa Lee, Si-Young Choi, Junwoo Son*, "Anionic flow valve across oxide heterointerfaces by remote electron doping", Nano Lett., 22, 9306-9312 (2022).
https://doi.org/10.1021/acs.nanolett.2c02736

Hohan Bae, Yonghun Shin, Lakshya Mathur, Donghwa Lee*, Sun‑Ju Song*, "Defect chemistry of p-type perovskite oxide La_0.2Sr_0.8FeO_3-δ: a combined experimental and computational study", J. Korean Ceram. Soc., 59, 876-888 (2022).
https://doi.org/10.1007/s43207-022-00237-6

Jangseop Lee, Seong Hun Kim, Sangmin Lee, Sanghyun Ban, Seongjae Heo, Donghwa Lee, Oleksandr Mosendz, Hyunsang Hwang, "Improving the SiGeAsTe Ovonic Threshold Switching (OTS) Characteristics by Microwave Annealing for Excellent Endurance (> 10¹¹) and Low Drift Characteristics", IEEE VLSI Symposium 2022. (2022).

Seungwoo Lee, Seong Hun Kim, Seungyeol Oh, Donghwa Lee, Hyunsang Hwang*, "Effect of the Oxygen Composition Control of HfOx Films on Threshold and Memory Switching Characteristics for Hybrid Memory Applications", Adv. Electronic Mater., 8, 2101257 (2022).
https://doi.org/10.1002/aelm.202101257

Seung Ju Kim, Tae Hyung Lee, June-Mo Yang, Jin Wook Yang, Yoon Jung Lee, Min-Ju Choi, Sol A Lee, Jun Min Suh, Kyung Ju Kwak, Ji Hyun Baek, In Hyuk Im, Da Eun Lee, Jae Young Kim, Jaehyun Kim, Ji Su Han, Soo Young Kim, Donghwa Lee*, Nam-Gyu Park*, Ho Won Jang*, "Vertically aligned two-dimensional halide perovskites for reliably operable artificial synapses", Mater. Today, 52, 19-30 (2022).
https://doi.org/10.1016/j.mattod.2021.10.035

Sangmin Lee, Jangsub Lee, Seong Hun Kim, Donguk Lee, Donghwa Lee, Hyunsang Hwang*, "Mg-Te OTS selector with Low Ioff ( < 100 pA), Fast Switching Speed (τd = 7 ns), and High Thermal Stability (400 °C / 30min) for X-point Memory Applications", 2021 Symposium on VLSI Technology, 1-2 (2021).
https://ieeexplore.ieee.org/abstract/document/9508648

Anupam Giri*, Manish Kumar, Jaeseon Kim, Monalisa Pal, Writam Banerjee, Revannath Dnyandeo Nikam, Junghyeok Kwak, Minsik Kong, Seong Hun Kim, Kaliannan Thiyagarajan, Geonwoo Kim, Hyunsang Hwang, Hyun Hwi Lee, Donghwa Lee*, Unyong Jeong*, "Surface diffusion and epitaxial self-planarization for wafer-scale single grain metal chalcogenide thin films", Adv. Mater., 33, 2102252 (2021).
https://doi.org/10.1002/adma.202102252

Writam Banerjee*, Seong Hun Kim, Seungwoo Lee, Donghwa Lee, Hyunsang Hwang*, "Deep Insight into Steep-Slope Threshold Switching with Record Selectivity (> 4×10^10) Controlled by Metal-Ion Movement through Vacancy-Induced-Percolation Path: Quantum-Level Control of Hybrid-Filament", Adv. Funct. Mater., 31, 2104054 (2021).
https://doi.org/10.1002/adfm.202104054

Writam Banerjee*, Seong Hun Kim, Seungwoo Lee, Donghwa Lee, Hyungsang Hwang*, "An efficient approach based on tuned nanoionics to maximize memory charactristics in Ag-based devices", Adv. Electronic Mater., 7, 2100022 (2021).
https://doi.org/10.1002/aelm.202100022

Youngjun Park, Seong Hun Kim, Donghwa Lee*, Jang-Sik Lee*, "Designing zero-dimensional dimer-type all-inorganic perovskites for ultra-fast switching memory", Nat. Commun., 12, 3527 (2021).
https://doi.org/10.1038/s41467-021-23871-w

Changhyuck Sung, Seong Hun Kim, Myounghoon Kwak, Donghwa Lee, Hyunsang Hwang*, "Hybrid Memory Device (Memory/Selector) with Scalable and Simple Structure for XNOR-based Neural Network Applications", Adv. Electronic Mater., 7, 2000881 (2021).
https://doi.org/10.1002/aelm.202000881

June Ho Lee, Seong Hun Kim, Kyung-Yeon Doh, Eun Ho Kim, Donghwa Lee*, "First-Principles Investigations to Evaluate Spin-Polarized Metal-to-Insulator Transition of Halide Cuprite Perovskites for Smart Windows", J. Am. Chem. Soc., 142, 14859–14863 (2020).
https://doi.org/10.1021/jacs.0c07529

Ju-Hyun Jung, Seong Hun Kim, Donghwa Lee*, Jang-Sik Lee*, "Metal-Halide Perovskite Design for Next-Generation Memories: First-Principles Screening and Experimental Verification", Adv. Science, 7, 2001367 (2020).
https://doi.org/10.1002/advs.202001367

Yunkyu Park, Gi-Yeop Kim, Daseob Yoon, Hyeon Han, Younghak Kim, Donghwa Lee, Si-Young Choi, Junwoo Son, "Directional ionic transport across the oxide interface enables low-temperature epitaxy of rutile TiO2", Nat. Commun., 11, 1401 (2020).
https://doi.org/10.1038/s41467-020-15142-x

Hyojin Yoon, Yongjin Kim, Ethan J. Crumlin, Donghwa Lee, Kyuwook Ihm, Junwoo Son, "Direct probing of oxygen loss from the surface lattice of correlated oxides during hydrogen spillover", J. Phys. Chem. Lett., 10, 7285−7292 (2019).
https://doi.org/10.1021/acs.jpclett.9b02670

Jongmyung Yoo, Seong Hun Kim, Solomon Amsalu Chekol, Jaehyuk Park, Changhyuck Sung, Jeonghwan Song, Donghwa Lee, Hyunsang Hwang, "3D Stackable and Scalable Binary Ovonic Threshold Switch Devices with Excellent Selectivity and Thermal Stability for High-density Cross-point Memory Applications", Adv. Electronic Mater., 5, 1900196 (2019).
https://doi.org/10.1002/aelm.201900196

Seong Hun Kim, Donghwa Lee*, "Role of charge trapping Iodine Frenkel defects for hysteresis in organic-inorganic hybrid Perovskite from First-Principles calculations", J. Phys. Chem. C, 123, 9629-9633 (2019).
https://doi.org/10.1021/acs.jpcc.9b01770

Sunihl Ma, Seong Hun Kim, Beomjin Jeong, Hyeok-Chan Kwon, Seong-Cheol Yun, Gyumin Jang,  Hyunha Yang,  Cheolmin Park, Donghwa Lee*, Jooho Moon, "Strain-Mediated Stabilization of α-CsPbI₃ Perovskite by Confined Growth inside Vertically Aligned Nanoporous Anodized Aluminum Oxide Template", Small, 15, 1900219 (2019).
https://doi.org/10.1002/smll.201900219

Cuhadar , Can ; Kim , Seul-Gi ; Yang, June-Mo ; Seo, Ja-Young ; Donghwa Lee* ; Park, Nam-Gyu, "All-Inorganic Bismuth Halide Perovskite-like Materials A3Bi2I9 and A3Bi1.8Na0.2I8.6 (A = Rb and Cs) for Low-Voltage Switching Resistive Memory", ACS Appl. Mater. Inter., 10, 29741–29749 (2018).
https://doi.org/10.1021/acsami.8b07103

June-Mo Yang, Seul-Gi Kim, Ja-Young Seo, Can Cuhadar, Dae-Yong Son, Donghwa Lee*, Nam-Gyu Park, "1-D Hexagonal HC(NH₂)₂PbI₃ for Multilevel Resistive Switching Nonvolatile Memory", Adv. Electronic Mater., 4, 1800190 (2018).
https://doi.org/10.1002/aelm.201800190

Seo, Ja-Young, Jaeho Cho, Jaegyeom Kim, June-Mo Yang, Can Cuhadar, Ji Su Han, Seung-Joo Kim, Donghwa Lee, Ho Won Jang, Nam-Gyu Park, "Wafer-Scale Reliable Switching Memory based on 2-Dimensional Layered Organic-Inorganic Halide Perovskite", Nanoscale, 9, 15278-15285 (2017).
https://doi.org/10.1039/C7NR05582J

Yeon Hoo Kim, Ji soo Park, You-Rim Choi, Seo Yun Park, Seonyong Lee, Woonbae Sohn, Young-Seok Shim, Jong-Heun Lee, Chong Rae Park, Donghwa Lee*, Ho Won Jang, "Chemically fluorinated graphene oxide for room temperature ammonia detection at ppb levels", J. Mater. Chem. A, 5, 19116-19125 (2017).
https://doi.org/10.1039/c7ta05766k

B. Mitchell, N. Hernandez, Donghwa Lee, A. Koizumi, Y. Fujiwara, V. Dierolf, "Charge state of vacancy defects in Eu-doped GaN", Phys. Rev. B, 96, 064308 (2017).
https://doi.org/10.1103/physrevb.96.064308

Bohee Hwang, Chungwan Gu, Donghwa Lee, and Jang-Sik Lee, "Effect of Halide-Mixing on the Switching Behaviors of Organic-Inorganic Hybrid Perovskite Memory", Sci. Rep., 7, 43794 (2017).
https://doi.org/10.1038/srep43794

Nicole Adelstein, Donghwa Lee, Jonathan DuBois, KG Ray, JB Varley, Vincenzo Lordi, "Magnetic stability of oxygen defects on the SiO2 surface", AIP Adv., 7, 025110 (2017).
https://doi.org/10.1063/1.4977194

Un-Bin Han, Donghwa Lee, Jang-Sik Lee, "Reliable current changes with selectivity ratio above 10^9 observed in lightly doped zinc oxide films", NPG Asia Mater., 9, e351 (2017).
https://doi.org/10.1038/am.2017.5

Donghwa Lee*, V. Gopalan, and S. R. Phillpot, , "Depinning of the ferroelectric domain wall in congruent LiNbO3", Appl. Phys. Lett., 109, 082905 (2016).
https://doi.org/10.1063/1.4961614

Su-Hyun Moon, Yoon Hwa Kim, Dong-Chun Cho, Eui-Chol Shin, Donghwa Lee, Won Bin Im, Jong-Sook Lee, "Sodium ion transport in polymorphic scandium NASICON analog Na3Sc2(PO4)3 with new dielectric spectroscopy approach for current-constriction effects", Solid State Ionics, 289, 55-71 (2016).
https://doi.org/10.1016/j.ssi.2016.02.017

Jeremy McMinis, Raymond C. Clay III, Donghwa Lee, Miguel A. Morales, "Molecular to atomic phase transition in hydrogen under high pressure", Phys. Rev. Lett., 114, 105305 (2015).
https://doi.org/10.1103/PhysRevLett.114.105305

Greg Stone, Donghwa Lee, Haixuan Xu, Simon Phillpot, Volkmar Dierolf, "Local probing of the interaction between intrinsic defects and ferroelectric domain walls in lithium niobate", Appl. Phys. Lett., 102, 042905 (2013).
https://doi.org/10.1063/1.4789779

F. Douglas Pleticha, Donghwa Lee, Susan B. Sinnott, Igor L. Bolotin, Michael W. Majeski, Luke Hanley, "Acetylene Ion-Enhanced Bonding of PbS Nanoparticles to Quaterthiophene in Thin Films", J. Phys. Chem. C, 116, 21693-21698 (2012).
https://doi.org/10.1021/jp306668k

Donghwa Lee, H. Xu, V. Gopalan, V. Dierolf, S. R. Phillpot, "Shape of Ferroelectric Domains in LiNbO3 and LiTaO3 from Defect/Domain-Wall Interactions", Appl. Phys. Lett., 98, 092903 (2011).
https://doi.org/10.1063/1.3560343

H. Xu, Donghwa Lee, S. B. Sinnott, V. Gopalan, V. Dierolf, S. R. Phillpot, "Interactions of Defects and Domain Walls in LiNbO3 – Insights from Simulation", IOP Conf. Ser.: Mater. Sci. Eng., 15, 012003 (2010).
https://doi.org/10.1088/1757-899X/15/1/012003

H. Xu, A. Chernatynskiy, Donghwa Lee, S. B. Sinnott, V. Gopalan, V. Dierolf, S. R. Phillpot, "Stability and charge transfer levels of extrinsic defects in LiNbO3", Phys. Rev. B, 82, 184109 (2010).
https://doi.org/10.1103/PhysRevB.82.184109

Donghwa Lee, H. Xu, V. Gopalan, V. Dierolf, S. R. Phillpot, "Structure and Energetics of Ferroelectric Domain Walls in LiNbO3 from atomic level simulations", Phys. Rev. B, 82, 014104 (2010).
https://doi.org/10.1103/PhysRevB.82.014104

H. Xu , Donghwa Lee, S. B. Sinnott, V. Gopalan, V. Dierolf, S. R. Phillpot, "Structure and diffusion of intrinsic defect complexes in LiNbO3 from density functional theory calculations", J. Phys: Condens. Matter, 22, 135002 (2010).
https://doi.org/10.1088/0953-8984/22/13/135002

Donghwa Lee, R. K. Behera, P. Wu, H. Xu, S. B. Sinnott, S. R. Phillpot, L.-Q. Chen, V. Gopalan, "Mixed Bloch-Néel-Ising character of 180° ferroelectric domain walls", Phys. Rev. B, 80, 060102 (2009).
https://doi.org/10.1103/PhysRevB.80.060102

H. Xu, Donghwa Lee, S. B. Sinnott, V. Gopalan, V. Dierolf, S. R. Phillpot, "Structure and energetics of Er defects in LiNbO3 from first-principles and thermodynamic calculations", Phys. Rev. B, 80, 144104 (2009).
https://doi.org/10.1103/PhysRevB.80.144104

H. Xu, Donghwa Lee, J. He, S. B. Sinnott, V. Gopalan, V. Dierolf, S. R. Phillpot, "Stability of Intrinsic Defects and Defect Clusters in LiNbO3 from Density Functional Theory Calculations", Phys. Rev. B, 78, 174103 (2008).
https://doi.org/10.1103/PhysRevB.78.174103

Jin-Young Lee, Ahjeong Lyu, Taejun Yoon, Shin Hyun Kim, Won Hui Jo, Jae Bok Seol, Donghwa Lee, Young-Kook Lee*, "Dual role of B in hydrogen embrittlement resistance of high-strength martensitic medium-Mn steel" (submitted).

Jin-Young Lee, Seung-Hyeon Kim, Jun-Yub Lee, Changhun Kim, Seon-Gyu Kim, Keunwon Lee, Won Hui Jo, Donghwa Lee, Jae Bok Seol, Kisub Cho< Young-Kook Lee*, "Design of Hydrogen-Resistant High-Strength Medium-Mn Steels Via Pareto Active Learning" (submitted).

Hyojin Park, Renhao Wu*, Jae Heung Lee, Yoon-Uk Heo, Do Won Lee, Ji-Su Lee, Seon-Gyu Kim, Haftlang Farahanz, Sang Guk Jeong, Hyo Moon Joo, Byeong-Joo Lee, Donghwa Lee, Hyoung Seop Kim*, "Process-intrinsic precipitate cellular networks for temperature-insensitive strength-ductility in additively manufactured Ni-based alloy" (submitted).

Jin-Young Lee, Minjeong Kim, Hyun-Bin Jeong, Won Hui Jo, Jae Bok Seol, Changhun Kim, Donghwa Lee, Young-Kook Lee*, "Revealing the Activation Energies for H Desorption from Spherical Semi-Coherent and Incoherent V₄C₃ Precipitates in Martensitic Medium-Mn Steel", Acta Mater., 301, 121618 (202512).
https://doi.org/10.1016/j.actamat.2025.121618

Hyojin Park, Seon-Gyu Kim, Sujung Son, Jeong Ah Lee, Hyojeong Ha, Donghwa Lee, Renhao Wu, Hyoung Seop Kim, "Temperature-Driven Kinetics of Discontinuous L1₂–B2 Competition Enables Core–Shell Architecture and Strengthening in a Ni-Based High-Entropy Alloy", Mater. Sci. Eng. A., 949, 149402 (202511).
https://doi.org/10.1016/j.msea.2025.149402

Gang Hee Gu, Sung-Gyu Heo, Shin Hyun Kim, Jaemin Wang, Goo-Hwan Jeong, Donghwa Lee, Byeong-Joo Lee, Wei Wei, Hyoung Seop Kim*, "Exploring Nanomechanical Characteristics of (CoCrFeMnNi)_100-xN_x High-Entropy Nitride Ceramics: An Integrated Experimental and Computational Approach", Mater. Charact., 229, 115597 (202511).
https://doi.org/10.1016/j.matchar.2025.115597

Jong-Kwan Lee, Seon-Gyu Kim , Donghwa Lee, Byeong-Joo Lee*, "Understanding the Synergistic Co-Mo Effect in Maraging Steels: Redistribution of Solute Atoms", Acta Mater., 294, 121171 (202508).
https://doi.org/10.1016/j.actamat.2025.121171

Gang Hee Gu, Shin Hyun Kim, Sung-Gyu Heo, Yongju Kim, Jaemin Wang, Hyeonseok Kwon, Donghwa Lee, Goo-Hwan Jeong, Byeong-Joo Lee, Dong Jun Lee, Hyoung Seop Kim*, "Strategic Enhancement of CoCrFeMnNi High-Entropy Alloy Mechanical Properties Through a High-Strength Nano-Scale Nitride Layer without Geometrical or Tolerance Constraints", Inter. J. Plast., 185, 104235 (202502).
https://doi.org/10.1016/j.ijplas.2024.104235

Yang Zuo, Yu Fu, Renlong Xiong, Huabei Peng*, Hui Wang*, Yuhua Wen, Seon-Gyu Kim, Donghwa Lee, Hyoung Seop Kim*, "Cryogenic Deformation Strengthening Mechanisms in FeMnSiNiAl High-Entropy Alloys", Acta Mater., 283, 120554 (202411).
https://doi.org/10.1016/j.actamat.2024.120554

Seong-Min Ko, Seong-Keun Oh, Nu-Ri Cho, Changhun Kim, Donghwa Lee, Seongwoo Kim, Jinkeun Oh, Young-Kook Lee*, "Effect of Al-based intermetallic coating layer on H uptake during austenitization in 31MnB5 steel", Acta Mater., 274, 119993 (202408).
https://doi.org/10.1016/j.actamat.2024.119993

Hyeji Sim, Kyung-Yeon Doh, Yunkyu Park, Kyung Song, Gi-Yeop Kim, Junwoo Son, Donghwa Lee*, Si-Young Choi*, "Crystallographic Pathways to Tailoring Metal-Insulator Transition through Oxygen Transport in VO₂", Small, 20, 2402260 (202407).
https://doi.org/10.1002/smll.202402260

Yu Sang-Hyun, Hyun-Bin Jeong, Gi Hoon Kwon, Seon-Gyu Kim, Donghwa Lee, Young-Kook Lee*, "Origin of tearing topography surface in hydrogen-charged pearlitic steel", Acta Materialia, 256, 119116 (202306).
https://doi.org/10.1016/j.actamat.2023.119116

Taehoon Kim, Tae Hyung Lee, Seo Yun Park, Tae Hoon Eom, Incheol Cho, Yeonhoo Kim, Changyeon Kim, Sol A Lee, Min-Ju Choi, Jun Min Suh, In-Sung Hwang, Donghwa Lee*, Inkyu Park*, Ho Won Jang*, "Drastic Gas Sensing Selectivity in 2-Dimensional MoS2 Nanoflakes by Noble Metal Decoration", ACS Nano, 17, 4404-4413 (202302).
https://doi.org/10.1021/acsnano.2c09733

Won Seok Cho, Dae Myeong Hong, Wan Jae Dong, Tae Hyung Lee, Chul Jong Yoo, Donghwa Lee*, Ho Won Jang*, Jong-Lam Lee*, "Porously reduced 2-Dimensional Bi2O2CO3 Petals for Strain-Mediated Electrochemical CO2 Reduction to HCOOH", Energy Environ. Mat., 7, e12490 (2022).
https://doi.org/10.1002/eem2.12490

Jun MinSuh, Tae HyungLee, Kootak Hong, Young GeunSong, Sung HwanCho, Chong-YunKang, Young-SeokShim, Donghwa Lee*, Ki Chang Kwon*, Ho WonJang*, "Extremely Sensitive and Selective NO2 Detection at Relative Humidity 90% in 2-Dimensional Tin Sulfides/SnO2 Nanorod Heterostructure", Sensors and Actuators B:Chemical, 369, 132319 (2022).
https://doi.org/10.1016/j.snb.2022.132319

Youngkwang Kim, June Ho Lee, Young Hwa Jung, Donghwa Lee*, Junwoo Son*, ""Cooperative coupling of anisotropic phonon modes intensifies visible thermochromism in layered α-MoO3"", Materials Horizon, 9, 1631-1640 (2022).
https://doi.org/10.1039/d2mh00090c

Gyujin Song, June Ho Lee, Sangyeop Lee, Dong-Yeob Han, Sungho Choi, Myung-Jun Kwak, Ji-Hyun Jang, Donghwa Lee*, Soojin Park*, "Highly stable germanium microparticle anodes with a hybrid conductive shell for high volumetric and fast lithium storage", ACS Appl. Mater. Interfaces, 14, 750-760 (2022).
https://pubs.acs.org/doi/10.1021/acsami.1c18607

Odongo Francis Ngome Okello, Kyung-Yeon Doh, Hye Su Kang, Kyung Song, Yong-Tae Kim, Kwang Ho Kim, Donghwa Lee*, Si-Young Choi*, "Visualization of transition metal decoration on h-BN surface", Nano Lett., 21, 10562-10569 (2021).
https://doi.org/10.1021/acs.nanolett.1c02198

Changhyo Sun, Sang-Jin Ko, Soonho Jung, Donghwa Lee, Jung Gu Kim*, Yunseok Kim*, "Visualization of electrochemical behavior in carbon steel assisted by machine learning", Appl. Surf. Sci., 563, 150412 (2021).
https://doi.org/10.1016/j.apsusc.2021.150412

Dennis Meier*, Nagarajan Valanoor, Qi Zhang, Donghwa Lee, "Domains and domain walls in ferroic materials", J. Appl. Phys., 129, 230401 (2021).
https://doi.org/10.1063/5.0057144

Gyuri Park, Byunghwa Kang, Soyeon Park, Donghwa Lee*, Seung Soo Oh*, "A unified computational view of DNA duplex, triplex, tetraplex and their donor-acceptor interactions", Nucleic Acids Research, 49, 4919-4933 (2021).
https://doi.org/10.1093/nar/gkab285

Jun Min Suh, Ki Chang Kwon, Tae Hyung Lee, Changyeon Kim, Chung Won Lee, Young Geun Song, Seokhoon Choi, Sung Hwan Cho, Mohammadreza Shokouhimehr, Chong-Yun Kang, Young-Seok Shim, Donghwa Lee*, Ho Won Jang*, "Edge-exposed WS2 on 1D Nanostructures for Highly Selective NO2 Sensor at Room Temperature", Sensors and Actuators B:Chemical, 333, 129566 (2021).
https://doi.org/10.1016/j.snb.2021.129566

Younghoon Kim, Pronoy Nandi, Donghwa Lee, Hyunjung Shin*, "Stabilization of 3-D Trigonal Phase in Guanidinium (C(NH2)3) Lead Triiodide (GAPbI3)", Appl. Surf. Sci., 542, 148575 (2021).
https://doi.org/10.1016/j.apsusc.2020.148575

Jin Woo Park, Yeongsu Lim, Kyung-Yeon Doh, Min Tai Jung, Young In Jeon, In Seok Yang, Hyeon-seo Choi, Jeongho Kim*, Donghwa Lee*, Wan In Lee*, "Enhancement of the photovoltaic properties of Ag2BiI5 by Cu doping", Sustain. Energy Fuels, 5, 1439-1447 (2021).
https://doi.org/10.1039/D0SE01563F

Yong Hee Jo, Junha Yang, Won-Mi Choi, Kyung-Yeon Doh, Donghwa Lee, Hyoung Seop Kim, Byeong-Joo Lee, Seok Su Sohn*, Sunghak Lee*, "Body-centered-cubic martensite and the role on room-temperature tensile properties in Si-added SiVCrMnFeCo high-entropy alloys", J. Mater. Sci. Technol., 76, 222-230 (2021).
https://doi.org/10.1016/j.jmst.2020.10.038

Writam Banerjee, Ilya V.Karpov, Ashish Agrawal, Seong Hun Kim, Seungwoo Lee, Sangmin Lee, Donghwa Lee, Hyunsang Hwang, "Highly-stable (< 3% fluctuation) Ag-based Threshold Switch with Extreme-low OFF Current of 0.1 pA, Extreme-high Selectivity of 109 and High Endurance of 109", IEEE International Electron Devices Meeting, 1-4 (2020).
https://doi.org/10.1109/iedm13553.2020.9371960

Yong Hee Jo, Junha Yang, Kyung-Yeon Doh, Woojin An, Dae Woong Kim, Hyokyung Sung, Donghwa Lee, Hyoung Seop Kim, Seok Su Sohn*, Sunghak Lee*, "Analysis of damage-tolerance of TRIP-assisted V10Cr10Fe45Co30Ni5 high-entropy alloy at room and cryogenic temperatures", J. Alloys Compd., 844, 156090 (2020).
https://doi.org/10.1016/j.jallcom.2020.156090

Yonghun Shin, Kyung-Yeon Doh, Seong Hun Kim, June Ho Lee, Hohan Bae, Sun-Ju Song, Donghwa Lee*, "Effect of Oxygen vacancies on Electrical conductivity of La0.5Sr0.5FeO3-δ from First-Principles calculations", J. Mater. Chem. A, 8, 4784-4789 (2020).
https://doi.org/10.1039/C9TA12734H

Tae Hyung Lee, Sol A Lee, Hoonkee Park, Min-Ju Choi, Donghwa Lee*, Ho Won Jang*, "Understanding the Enhancement of the Catalytic Properties of Goethite by Transition Metal Doping: Critical Role of O* Formation Energy Relative to OH* and OOH*", ACS Appl. Energy Mater., 3, 1634-1643 (2020).
https://doi.org/10.1021/acsaem.9b02140

Noho Lee, Il Yong Choi, Kyung-Yeon Doh, Jaewon Kim, Si-Young Choi, Donghwa Lee, Jong Kyu Kim, "Enhanced catalytic activity of Edge-Exposed 1T-WS2/WO3 nanohelix array for efficient water splitting", J. Mater. Chem. A, 7, 26378-26384 (2019).
https://doi.org/10.1039/C9TA07926B

Eun-Suk Choi, June-Mo Yang , Seul-Gi Kim, Can Cuhadar, So-Yeon Kim, Seong Hun Kim, Donghwa Lee*, Nam-Gyu Park, "The effect of compositional engineering of imidazolium lead iodide on the resistive switching properties", Nanoscale, 11, 14455-14464 (2019).
https://doi.org/10.1039/C9NR02885D

Yong Hee Jo, Kyung-Yeon Doh, Dong Geun Kim, Kwanho Lee, Hyokyung Sung , Seok Su Sohn , Donghwa Lee, Hyoung Seop Kim, Byeong-Joo Lee, Sunghak Lee, "Cryogenic-temperature fracture toughness analysis of non-equi-atomic V₁₀Cr₁₀Fe₄₅Co₂₀Ni₁₅ high-entropy alloy", J. Alloys Compd., 809, 151864 (2019).
https://doi.org/10.1016/j.jallcom.2019.151864

Yeonhoo Kim, Yong Seok Choi, Seo Yun Park, Taehoon Kim, Seung-Pyo Hong, Tae Hyung Lee, Cheon Woo Moon, Jong-Heun Lee, Donghwa Lee*, Byung Hee Hong, Ho Won Jang, "Au decoration of a graphene microchannel for self-activated chemoresistive flexible gas sensors with substantially enhanced response to hydrogen", Nanoscale, 11, 2966-2973 (2019).
https://doi.org/10.1039/c8nr09076a

Y.H. Jo, D.G. Kim, M.C. Jo, Kyung-Yeon Doh, S.S. Sohn, Donghwa Lee, H.S. Kim, B.J. Lee, S. Lee, "Effects of deformation–induced BCC martensitic transformation and twinning on impact toughness and dynamic tensile response in metastable VCrFeCoNi high–entropy alloy", Journal of Alloys and Compounds, 785, 1056-1067 (2019).
https://doi.org/10.1016/j.jallcom.2019.01.293

Jaesun Song, Minji Seo, Tae Hyung Lee, Yong-Ryun Jo, Jongmin Lee, Taemin Ludvic Kim, So-Young Kim, Seung-Mo  Kim, Sang Yun  Jeong, Hyunji An, Seungkyu Kim, Byoung Hun  Lee, Donghwa  Lee, Ho Won  Jang, Bong-Joong  Kim, Sanghan Lee, "Tailoring crystallographic orientations to substantially enhance charge separation efficiency in anisotropic BiVO₄ photoanodes", ACS Catal., 8, 5952-5962 (2018).
https://doi.org/10.1021/acscatal.8b00877

Hyojin Yoon, Jaeseoung Park, Si-Young Choi, Donghwa Lee, Junwoo Son, "Facet-dependent phase control by band filling and anisotropic electron-lattice coupling in HVO₂ epitaxial films", Adv. Electronic Mater., 4, 1800128 (2018).
https://doi.org/10.1002/aelm.201800128

Ji Eun Choi, Jinkyoung Yoo, Donghwa Lee, Young Joon Hong, Takashi Fukui, "Crystal-phase intergradation in InAs nanostructures grown by van der Waals heteroepitaxy on graphene", Appl. Phys. Lett., 112, 142101 (2018).
https://doi.org/10.1063/1.5017251

Yoon Hwa Kim, Paulraj Arunkumar, Bo Young Kim, Sanjith Unithrattil, Eden Kim, Su-Hyun Moon, Jae Young Hyun, Ki Hyun Kim, Donghwa Lee, Jong-Sook Lee, Won Bin Im, "A zero thermal quenching phosphor", Nat. Mater., 16, 543-550 (2017).
https://doi.org/10.1038/nmat4843

Donghwa Lee, "The effect of domain wall on defect energetics in ferroelectric LiNbO₃ from density functional theory calculations", J. Korean Ceram. Soc., 53, 312-316 (2016).
https://doi.org/10.4191/kcers.2016.53.3.312

Shinbuhm Lee, Tricia L. Meyer, John Nichols, Dongkyu Lee, Changhee Sohn, Donghwa Lee, S. S. Ambrose Seo, John W. Freeland, Tae Won Noh, Ho Nyung Lee, "Electronic structure and insulating gap opening in epitaxial VO2 polymorphs", APL Mater., 3, 126109 (2015).
https://doi.org/10.1063/1.4939004

Tuan Anh Pham, Donghwa Lee, Eric Schwegler, Giulia Galli, "Interfacial Effects on the Band Edges of Functionalized Si Surfaces in Liquid Water", J. Am. Chem. Soc., 136, 17071–17077 (2014).
https://doi.org/10.1021/ja5079865

Donghwa Lee, Jonathan DuBois, Yosuke Kanai, "Importance of Excitonic Effect in Charge Separation at Quantum-Dot/Organic Interface: First-Principles Many-Body Calculations", Nano Lett., 14, 6884–6888 (2014).
https://doi.org/10.1021/nl502894b

Donghwa Lee*, B. Mitchell, Y. Fujiwara, V. Dierolf, "Thermodynamics and Kinetics of Three Mg-H-VN complexes in Mg:GaN from Combined First-Principles Calculation and Experiment", Phys. Rev. Lett., 112, 205501 (2014).
https://doi.org/10.1103/PhysRevLett.112.205501

Donghwa Lee, Eric Schwegler, Yosuke Kanai, "Dependence of Water Dynamics on Molecular Adsorbates near Hydrophobic Surfaces: First-Principles Molecular Dynamics Study", J. Phys. Chem. C, 118, 8508-8513 (2014).
https://doi.org/10.1021/jp502850k

Donghwa Lee*, Jonathan DuBois, Vincenzo Lordi, "Identification of the local sources of paramagnetic noise in superconducting qubit devices fabricated on α-Al2O3 substrates using density-functional calculations", Phys. Rev. Lett., 112, 017001 (2014).
https://doi.org/10.1103/PhysRevLett.112.017001

Minki Hong, Donghwa Lee, Simon R. Phillpot, Susan B. Sinnott, "A Mechanism for TiO2 Formation on Stepped TiN (001) from First-Principles Calculations", J. Phys. Chem. C, 118, 384-388 (2014).
https://doi.org/10.1021/jp409494q

B. Mitchell, Donghwa Lee, D. Lee, Y. Fujiwara, V. Dierolf, "Vibrationally induced center reconfiguration in co-doped GaN:Eu, Mg epitaxial layers: local hydrogen migration vs. activation of non-radiative channels", Appl. Phys. Lett., 103, 242105 (2013).
https://doi.org/10.1063/1.4846575

B. Mitchell, Donghwa Lee, D. Lee, A. Koizumi, Y. Fujiwara, V. Dierolf, "Electron-Beam-Induced Migration of Hydrogen in Mg-doped GaN using Eu as a Probe", Phys. Rev. B, 88, 121292 (2013).
https://doi.org/10.1103/PhysRevB.88.121202

Donghwa Lee, Yosuke Kanai, "Role of Four-Fold Coordinated Titanium and Quantum Confinement in CO2 Reduction at Titania Surface", J. Am. Chem. Soc., 134, 20266-20269 (2012).
https://doi.org/10.1021/ja309871m

Harpham, M. R.; Nguyen, S. C.; Hou, Z.; Grossman, J. C.; Harris, C. B.; Mara, M. W.; Stickrath, A. B.; Kanai, Y.; Kolpak, A. M.; Donghwa Lee et al., "X-ray Transient Absorption and Picosecond IR Spectroscopy of Fulvalene(tetracarbonyl)diruthenium on Photoexcitation", Angew. Chem. Int. Ed., 51, 7692–7696 (2012).
https://doi.org/10.1002/anie.201202952

Donghwa Lee, Yosuke Kanai, "Biomimetic Carbon Nanotube for Catalytic CO2 Hydrolysis: First-Principles Investigation on the Role of Oxidation State and Metal Substitution in Porphyrin", J. Phys. Chem. Lett., 3, 1369–1373 (2012).
https://doi.org/10.1021/jz300419u

Cheng, Y.-T.; Shan, T.-R.; Devine, B.; Donghwa Lee; Liang, T.; Hinojosa, B. B.; Phillpot, S. R.; Asthagiri, A.; Sinnott, S. B., "Atomistic simulations of the adsorption and migration barriers of Cu adatoms on ZnO surfaces using COMB potentials", Surf. Sci., 606, 1280-1288 (2012).
https://doi.org/10.1016/j.susc.2012.04.007

R. K. Behera, C. Lee, Donghwa Lee, A. N. Morozovska, S. B. Sinnott, A. Asthagiri, V. Gopalan, S. R. Phillpot, "Structure and Energetics of 180° Domain Walls in PbTiO3 by Density Functional Theory", J. Phys.: Condens. Matter, 23, 175902 (2011).
https://doi.org/10.1088/0953-8984/23/17/175902

A. Vasudevarao, A.N. Morozovska, S. Bhattacharyya, Donghwa Lee, S. Jesse, I. Grinberg, Y. Li, S. Choudhury, P. Wu, K. Seal, A.M. Rappe, S.V. Svechnikov, E.A. Eliseev, S. R. Phillpot, L.Q. Chen, V. Gopalan, S.V. Kalinin, "Correlated polarization switching in the proximity of a 180 degrees domain wall", Phys. Rev. B, 82, 024111 (2010).
https://doi.org/10.1103/PhysRevB.82.024111

Bryce Devine, I. Jang, T. Kemper, Donghwa Lee, J. D. Gale, N. Iordanova, S. B. Sinnott, "Multilevel Computational Analysis of Fluorocarbon Polyatomic Deposition on Diamond", J. Phys. Chem. C, 114, 12535-12544 (2010).
https://doi.org/10.1021/jp100667n