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Computational Materials Science Laboratory

Hyun You Kim's Group


Current Members

Graduate Students


Lee, Ju Hyeok(이주혁)

       Integrated Ph. D., 3rd year

2020 B.S. Department of Materials Science and Engineering, Chungnam National University




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

Submitted, (2022)


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, (2022)


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, 34, 45703 (2023) <IF: 3.953> 


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, 13, 1719 (2022) <IF: 6.888>



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



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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