Modulation of the Electronic Properties of MXene (Ti3C2Tx) via Surface-Covalent Functionalization with Diazonium H Jing, H Yeo, B Lyu, J Ryou, S Choi, JH Park, BH Lee, YH Kim, S Lee ACS nano 15 (1), 1388-1396, 2021 | 115 | 2021 |
Quasi-Fermi level splitting in nanoscale junctions from ab initio J Lee, H Yeo, YH Kim Proceedings of the National Academy of Sciences 117 (19), 10142-10148, 2020 | 17 | 2020 |
Atomistics of asymmetric lateral growth of colloidal zincblende CdSe nanoplatelets DE Yoon, J Lee, H Yeo, J Ryou, YK Lee, YH Kim, DC Lee Chemistry of Materials 33 (12), 4813-4820, 2021 | 16 | 2021 |
First-principles-derived effective mass approximation for the improved description of quantum nanostructures H Yeo, JS Lee, ME Khan, HS Kim, DY Jeon, YH Kim Journal of Physics: Materials 3 (3), 034012, 2020 | 12 | 2020 |
Ab initio theory of the nonequilibrium adsorption energy J Lee, H Yeo, RG Lee, YH Kim npj Computational Materials 10 (1), 60, 2024 | | 2024 |
Theory of Electric Enthalpy of Formation in Electrified Interfaces RG Lee, J Lee, H Yeo, YH Kim International Workshop on Computational Nanotechnology, IWCN 2023, 2023 | | 2023 |
First-principles study of water molecules at the electrified graphene surface H Yeo, J Lee, RG Lee, S Yu, YH Kim International Workshop on Computational Nanotechnology, IWCN 2023, 2023 | | 2023 |
Finite-Bias Calculations of Perovskite Oxide Ferroelectric Tunnel Junctions using Multi-Space Density Functional Theory K Rajput, RG Lee, TH Kim, H Yeo, J Lee, YH Kim APS March Meeting Abstracts 2023, JJ01. 007, 2023 | | 2023 |
Convolutional neural network learning of self-consistent field electron density based on atom-projected field descriptors RG Lee, YH Kim, J Lee, H Yeo APS March Meeting 2023, 2023 | | 2023 |
First-principles study of water molecules at the electrified graphene electrode surface H Yeo, YH Kim, S Yu PSI-K 2022 CONFERENCE, 2022 | | 2022 |
First-principles study of the functionalized-MXene for Li-ion battery application H Yeo, YH Kim APS March Meeting Abstracts 2022, G47. 008, 2022 | | 2022 |
High Catalytic Activities from Atomically Precise Non-Noble Metal Clusters Stabilized between Nitrogenated Holey Graphenes: A first-principles study MJ Noh, J Lee, H Yeo, YH Kim 72nd Annual Meeting of the International Society of Electrochemistry, 2021 | | 2021 |
First-principles study of the effects of the electrode-molecule contact configurations on the molecule diode device characteristics H Yeo 한국과학기술원, 2019 | | 2019 |
Electrochemical potential profiles of molecule junctions using constrained-search density functional study H Yeo, J LEE, HANS KIM, YH Kim The 21th Asian Workshop on First-Principles Electronic Structure Calculations, 2018 | | 2018 |
The critical effect of metal atoms in mechanically interlocked supramolecular devices and the prevention using graphene H Yeo, HS Kim, YH Kim 한국진공학회 학술발표회초록집, 427-427, 2017 | | 2017 |
Effects of the length of linkers in metal-azobenzene-metal junction on transmission and ON/OFF ratio H Yeo, HS Kim, YH Kim EDISON SW 활용 경진대회 논문집, 499-505, 2017 | | 2017 |