Poly (fluorenyl aryl piperidinium) membranes and ionomers for anion exchange membrane fuel cells N Chen, HH Wang, SP Kim, HM Kim, WH Lee, C Hu, JY Bae, ES Sim, ... Nature communications 12 (1), 2367, 2021 | 268 | 2021 |
Understanding the anchoring behavior of titanium carbide-based MXenes depending on the functional group in LiS batteries: A density functional theory study ES Sim, GS Yi, M Je, Y Lee, YC Chung Journal of Power Sources 342, 64-69, 2017 | 143 | 2017 |
Effect of lithium-trapping on nitrogen-doped graphene as an anchoring material for lithium–sulfur batteries: a density functional theory study GS Yi, ES Sim, YC Chung Physical Chemistry Chemical Physics 19 (41), 28189-28194, 2017 | 60 | 2017 |
Non-uniformly functionalized titanium carbide-based MXenes as an anchoring material for Li-S batteries: A first-principles calculation ES Sim, YC Chung Applied Surface Science 435, 210-215, 2018 | 48 | 2018 |
Theoretical approach toward optimum anion-doping on MXene catalysts for hydrogen evolution reaction: an ab initio thermodynamics study H Nam, ES Sim, M Je, H Choi, YC Chung ACS Applied Materials & Interfaces 13 (31), 37035-37043, 2021 | 20 | 2021 |
Elucidating the unintentional p-type nature of spinel Co3O4: A defect study using ab-initio calculation SB Cho, ES Sim, YC Chung Journal of the European Ceramic Society 38 (2), 629-635, 2018 | 13 | 2018 |
Theoretical dopant screening and processing optimization for vanadium disulfide as cathode material for Li-air batteries: A density functional theory study J Woo, ES Sim, M Je, H Choi, YC Chung Applied Surface Science 508, 145276, 2020 | 9 | 2020 |
Enhancement of the quantum capacitances of group-14 elemental two-dimensional materials by Ti-doping: A first principles study J Rihm, ES Sim, SB Cho, YC Chung Applied Surface Science 530, 147301, 2020 | 8 | 2020 |
Self-adaptive evolution of nickel silicide nanowires for the enhancement of bifunctional electrocatalytic activities WJ Chang, ES Sim, J Kwon, S Jang, DY Jeong, T Song, N Oh, HW Jang, ... Chemical Engineering Journal 434, 134668, 2022 | 7 | 2022 |
Manipulatable interface electric field and charge transfer in a 2D/2D heterojunction photocatalyst via oxygen intercalation M Je, ES Sim, J Woo, H Choi, YC Chung Catalysts 10 (5), 469, 2020 | 6 | 2020 |
Two-dimensional Janus like scandium-based MXenes as photocatalysts for overall water splitting: A first-principles study ES Sim, H Nam, C Kim, YC Chung Sustainable Materials and Technologies 34, e00502, 2022 | 5 | 2022 |
Optimization of hydrogen evolution reaction catalytic activity of Ti2CO2 via surface engineering with an isolated fluorine effect: An ab-initio density functional theory study ES Sim, J Woo, YC Chung Applied Surface Science 562, 150149, 2021 | 5 | 2021 |
Roles of interface polaron in the Z-scheme photocatalytic mechanism for water splitting: a multiscale simulation study H Nam, C Kim, ES Sim, M Je, H Choi, YC Chung The Journal of Physical Chemistry C 127 (40), 19995-20003, 2023 | 1 | 2023 |
Surface engineering of two dimensional MXenes to promote electrochemical reactions: DFT study ES Sim 한양대학교, 2022 | | 2022 |