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Computational Materials Science Laboratory

Hyun You Kim's Group


Current Members

Graduate Students


Choi, Yejung(최예정)

       Integrated Ph. D., 2nd year

2022 B.S. Department of Materials Science and Engineering, Chungnam National University




Hyuk Choi†, Eunji Kang†, DongHwan Oh†, Sangwoo Kim, Mi Yoo, Ju Hyeok Lee,  Jieun Yun, Yejung Choi, Jongseok Kim, Jin-Seok Choi, Kug-Seung Lee, Young-Sang Yu, Chunjoong Kim, WooChul Jung*, and Hyun You Kim*


Modulated Structural and Electronic Ensemble Enhances Catalytic Performance of Pt Single-Atoms toward Preferential CO Oxidation

Submitted, (2023)


Woo Hyeon Jeong, Seongbeom Lee, Hochan Song, Xinyu Shen, Hyuk Choi, Yejung Choi,

Jonghee Yang, Jung Won Yoon, Zhongkai Yu, Jihoon Kim, Gyeong Eun Seok, Jeongjae Lee,
Hyun You Kim, Henry J. Snaith, Hyosung Choi*, Sung Heum Park* and Bo Ram Lee*

Synergistic Surface Modification for High Efficiency Perovskite Nanocrystal Light-Emitting Diodes: Divalent Metal Ion Doping and Halide-based Ligand Passivation

Advanced Science, Accepted, (2023)



Daniel Tan, Wonhee Lee, Young Eun Kim, You Na Ko, Min Hye Youn, Ye Eun Jeon, Jumi Hong, Jeong Eun Park, Jaeho Seo, Soon Kwan Jeong, Yejung Choi, Hyuk Choi, Hyun You Kim*, Ki Tae Park*


In-Bi Electrocatalyst for the Reduction of CO2 to Formate in a Wide Potential Window

ACS Applied Materials & Interfaces, 14, 28890 (2022) <IF: 10.383>



2023.06.21~2023.07.06, COSMIC Beamline( in Advanced Light Source (ALS) 방문 연구



2023, 대한금속 재료학회 전산재료과학 촉매 심포지엄, Yejung Choi, Hyuk Choi, Ju Hyeok Lee, Jongseok Kim, Eunji Yun, Hongjin Park, Hyun You Kim*

DFT study of CO2 hydrogenation over Pd-based catalysts : the role of the activation of C-O bond


2022, 한국재료학회, Yejung Choi, Hyuk Choi, Ju Hyeok Lee, Jongseok Kim, Eunji Yun, Hyun You Kim*

Understanding the Atomistic Reaction Mechanism for CO2 Hydrogenation Reaction by using Density Function Theory

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