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Computational Materials Science Laboratory

Hyun You Kim's Group


Current Members

Graduate Students


Lee, Ju Hyeok(이주혁)

       Integrated Ph. D., 4th year

2020 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)


Jungwoo Choi†, Hyuk Choi†, Ju Hyeok Lee, Eunji Kang, Hyuck Mo Lee*, and Hyun You Kim*

Mechanism of Water-Gas Shift Reaction Catalyzed by Au-Single-Atoms Supported on CeO2-TiO2 Hybrid-Oxide: Extracting a Designing Factor

Submitted, (2023)


Se Yeon Park†, Dong-Bum Seo†, Hyuk Choi†, Saewon Kang, Soonmin Yim, Jin Kim, Jung Jae Hwan, Ju Hyeok Lee, Sun Sook Lee, Eui-Tae Kim, Dae Ho Yoon, Hyun You Kim*, Wooseok Song*, and Ki-Seok An*

Structural instability stimulated heteroatoms co-doping of two-dimensional quaternary semiconductor for optoelectronic applications

Submitted, (2023)


Hae In Lee‡, Myung Won Seo‡, Dong Hyun Kim, Hyuk Choi, Ju Hyeok Lee, Mi Yoo, Min-Jae Kim, Doyeon Lee, 

Hyun-Seok Cho, Chang-Hee Kim, Young-Woo Rhee, Hyun You Kim*, Kyubock Lee*, and Won Chul Cho*

Multi-Step Mechanochemical Synthesis of Mesoporous SiC Using CO2 as a Feedstock

Submitted, (2023)


Minkyun Son†, Hanbyeol Jang†, Dong-Bum Seo†, Ju Hyeok Lee, Jin Kim, Minsu Kim, Saewon Kang, Soonmin Yim, Wooseok Song, Jung-Woo Yoo, Hyun You Kim, Sun Sook Lee, and Ki-Seok An*

High-Performance Infrared Photodetectors Driven by Interlayer Exciton in a van der Waals Epitaxy Grown HfS2/MoS2 Vertical Heterojunction

Submitted, (2023)


 Young Eun Kim, Jeong Eun Park, Ju Hyeok Lee, Hyuk Choi, Wonhee Lee, You Na Ko, Hyun You Kim, Ki Tae Park,*

Ag Decorated-Cu2O Catalysts with Enhanced Selectivity of CO2 Electroreduction toward C2+ Products

Journal of Environmental Chemical Engineering, (2023)


Dong-Hyun Lee*, Yun Hee An, Yakai Zhao*, Ju Hyeok Lee, Hyun You Kim, You Sub Kim, Soo Yeol Lee

A novel methodology to estimate hydrogen diffusivity and its applications in revealing hydrogen effects in CoCrNi medium-entropy alloy versus 316L stainless steel

International Journal of Plasticity, (2023)


Dong-Gyu Kim‡, Hyuk Choi‡, Yoon‑Seo Kim, Dong-Hyeon Lee, Hye‑Jin Oh, Ju Hyeok Lee, Junghwan Kim, Seunghee Lee, Bongjin Kuh, Taewon Kim, Hyun You Kim*, and Jin-Seong Park*

Selectively Nitrogen Doped ALD-IGZO TFTs with Extremely High-mobility and Reliability

ACS Applied Materials and Interfaces, (2023)


Hochan Song, Seul Gi Lim, Jonghee Yang, Jeongjae Lee, Hyuk Choi, Ju Hyeok Lee, Hyun You Kim*, Bo Ram Lee*, Hyosung Choi* 


Unravelling the Role of Thiolate Ligand in Surface Passivation of Inorganic Perovskite Nanocrystals for Solar Cells

Chemical Engineering Journal, (2023)


Eunji Kang†, Jungwoo Choi†, Hyuk Choi†, Jieun Yun, Ju Hyeok Lee, Mi Yoo, Hyuck Mo Lee*, and Hyun You Kim*

Gold Single-Atoms Confined at the CeOx-TiO2 Interfaces with Enhanced Low-Temperature Activity toward CO Oxidation

Nanotechnology, (2023) 



Mi Yoo†, Eunji Kang†, Hyunwoo Ha†, Jieun Yun†, Hyuk Choi, Ju Hyeok Lee, Tae Jun Kim, Jiho Min, Jin-Seok Choi, Kug-Seung Lee, Namgee Jung, Sungtak Kim, Chunjoong Kim, Young-Sang Yu*, and Hyun You Kim*


Interspersing CeOx clusters to the Pt-TiO2 interfaces for catalytic promotion of TiO2-supported Pt nanoparticles

Journal of Physical Chemistry Letters, (2022) 



Eunji Kang, Hyuk Choi, Ju Hyeok Lee, Hyun You Kim*


Density Functional Theory Study of Water Activation at Au-Ceria interfaces

Korean J. Mater. Res. (2021)



2022.12.13~2022.12.28, COSMIC Beamline( in Advanced Light Source (ALS) 방문 연구


2023.09.01~2023.09.27, 8-ID ISS Beamline in NSLS-II (BNL) 방문 연구



2022, 263rd ACS National meeting, Ju Hyeok Lee, Mi Yoo, Eunji Kang, Hyuk Choi, Jieun Yun,

Jin-Seok Choi, Kug-Seung Lee, Sungtak Kim, Chunjoong Kim, Young-Sang Yu, Hyun You Kim

Extra-activation of TiO2-supported Pt nanoparticles toward CO oxidation by modulation of Pt-TiO2 interfaces


2021, IUMRS-ICA, Ju Hyeok Lee, Hyuk Choi, Mi Yoo, Eunji Kang, Sangwoo Kim, WooChul Jung, Hyun You Kim*

Preferential Oxidation of CO under H2-rich Conditions Catalyzed by Pt Single Atoms

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