PublicationsComputational Nano-Materials Design Laboratory

Publications

2024

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*, and Ho Won Jang*, “Linearly programmable two-dimensional halide perovskite memristor arrays for neuromorphic computing”, Nature nanotech., 1-10 (202408).
https://doi.org/10.1038/s41565-024-01790-3

Yang Zuo, Yu Fu, Renlong Xiong, Huabei Peng*, Hui Wang*, Yuhua Wen, Seon-Gyu Kim, Donghwa Lee, and Hyoung Seop Kim*, “Cryogenic deformation strengthening mechanisms in FeMnSiNiAl high-entropy alloys”, Acta Mater., 120554 (202411). https://doi.org/10.1016/j.actamat.2024.120554

Geonhui Han, Jaeseon Kim, Youngdong Kim, Jongseon Seo, Donghwa Lee, Hyunsan 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, 10 (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, 33, 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, and 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, 36 (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, 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, Hyunsan Hwang*, “Highly Scalable Vertical Bypass RRAM (VB-RRAM) for 3D V -NAND Memory”, IEEE. Symposium on VLSI Tech., (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*, and 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

2023

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, and Donghwa Lee*, “First-Principles Investigations on Semiconductor-to-Metal Phase Transition of 2D Si2Te3 for Reversible Resistive Switching”, ACS Appl. Mater. Interfaces, 15 (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, and 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*, and 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

2022

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, 23, 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, 10, 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).pa(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., Published Online (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* and 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, 18, 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, and 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.

Youngkwang Kim, June Ho Lee, Young Hwa Jung, Donghwa Lee*, and 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*, and 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*, and 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, 4.1 (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

2021

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, 4, 2100893 (2022).
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 (2022).
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*, and 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*, and 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, 25, 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*, and 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, 9, 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* and 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 and 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

2020

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, 28.4.1-28.4.4 (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*, and 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, and 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 and Donghwa Lee*, “Effect of Oxygen vacancies on Electrical conductivity of La0.5Sr0.5FeO3-δ from First-Principles calculations”, J. Mater. Chem. A, 8(9), 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(2), 1634-1643 (2020).
https://doi.org/10.1021/acsaem.9b02140

2019

Hyojin Yoon, Yongjin Kim, Ethan J. Crumlin, Donghwa Lee, Kyuwook Ihm and 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 and 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 and Sunghak Lee, “Cryogenic-temperature fracture toughness analysis of non-equi-atomic V₁₀Cr₁₀Fe₄₅Co₂₀Ni₁₅high-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 and 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(7), 1900196 (2019).
https://doi.org/10.1002/aelm.201900196

Seong Hun Kim, and 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, 14, 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* and 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, and 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 and 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 and 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

2018

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 (35), 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*, and 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 and 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, and 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 and Nam-Gyu Park, “Universal Approach toward Hysteresis-Free Perovskite Solar Cell via Defect Engineering”, J. Am. Chem. Soc., 140(4), 1358–1364 (2018).
https://doi.org/10.1021/jacs.7b10430

2017

Seo, Ja-Young, Jaeho Cho, Jaegyeom Kim, June-Mo Yang, Can Cuhadar, Ji Su Han,
Seung-Joo Kim, Donghwa Lee, Ho Won Jang, and 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*, and 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(41), 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*, and Ho Won Jang, “Chemically fluorinated graphene oxide for room temperature ammonia detection at ppb levels”, J. Mater. Chem. A, 5 (36), 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, and Vincenzo Lordi, “Magnetic stability of oxygen defects on the SiO2 surface”, AIP Adv., 7(2), 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 (2), 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

2016

Donghwa Lee*, V. Gopalan, and S. R. Phillpot, “Depinning of the ferroelectric domain wall in congruent LiNbO3”, Appl. Phys. Lett., 109(9), 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(3), 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

2015

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

2014

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 (49), 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 (12), 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). Selected as an editors’ suggestion for January 10, 2014 issue
https://doi.org/10.1103/PhysRevLett.112.017001

Minki Hong, Donghwa Lee, Simon R. Phillpot and 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

2013

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, 121202 (R) (2013).
https://doi.org/10.1103/PhysRevB.88.121202

Greg Stone, Donghwa Lee, Haixuan Xu, Simon Phillpot, and 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

2012

Donghwa Lee, and 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, and 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

2011

R. K. Behera, C. Lee, Donghwa Lee, A. N. Morozovska, S. B. Sinnott, A. Asthagiri, V. Gopalan, and 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, and 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

2010

H. Xu, Donghwa Lee, S. B. Sinnott, V. Gopalan, V. Dierolf and 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, and 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, and 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, and 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, and 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, and 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

2009

Donghwa Lee, R. K. Behera, P. Wu, H. Xu, S. B. Sinnott, S. R. Phillpot, L.-Q. Chen and V. Gopalan, “Mixed Bloch-Néel-Ising character of 180° ferroelectric domain walls”, Phys. Rev. B 80, 060102 (R) (2009). Selected for August 24, 2009 issue of Virtual Journal of Nanoscale Science & Technology.
https://doi.org/10.1103/PhysRevB.80.060102

H. Xu, Donghwa Lee, S. B. Sinnott, V. Gopalan, V. Dierolf, and 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

2008

H. Xu, Donghwa Lee, J. He, S. B. Sinnott, V. Gopalan, V. Dierolf and 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