| Interface structure prediction via CALYPSO method B Gao, P Gao, S Lu, J Lv, Y Wang, Y Ma Science Bulletin 64 (5), 301-309, 2019 | 237 | 2019 |
| Superhard in Cubic Diamond Structure M Zhang, H Liu, Q Li, B Gao, Y Wang, H Li, C Chen, Y Ma Physical review letters 114 (1), 015502, 2015 | 202 | 2015 |
| Screening surface structure of MXenes by high-throughput computation and vibrational spectroscopic confirmation T Hu, M Hu, B Gao, W Li, X Wang The Journal of Physical Chemistry C 122 (32), 18501-18509, 2018 | 153 | 2018 |
| Tunable Doping of Rhenium and Vanadium into Transition Metal Dichalcogenides for Two‐Dimensional Electronics S Li, J Hong, B Gao, YC Lin, HE Lim, X Lu, J Wu, S Liu, Y Tateyama, ... Advanced Science, 2004438, 2021 | 92 | 2021 |
| Surface-Dependent Stability of the Interface between Garnet Li7La3Zr2O12 and the Li Metal in the All-Solid-State Battery from First-Principles Calculations B Gao, R Jalem, Y Tateyama ACS Applied Materials & Interfaces, 2020 | 60 | 2020 |
| Doped graphenes as anodes with large capacity for lithium-ion batteries L Zhou, ZF Hou, B Gao, T Frauenheim Journal of Materials Chemistry A 4 (35), 13407-13413, 2016 | 57 | 2016 |
| Li+ Transport Mechanism at the Heterogeneous Cathode/Solid Electrolyte Interface in an All-Solid-State Battery via the First-Principles Structure Prediction Scheme B Gao, R Jalem, Y Ma, Y Tateyama Chemistry of Materials, 2019 | 56 | 2019 |
| Theoretical picture of positive electrode/solid electrolyte interface in all-solid-state battery from electrochemistry and semiconductor physics viewpoints Y Tateyama, B Gao, R Jalem, J Haruyama Current Opinion in Electrochemistry, 2019 | 50 | 2019 |
| Electron and Ion Transfer across Interfaces of the NASICON-Type LATP Solid Electrolyte with Electrodes in All-Solid-State Batteries: A Density Functional Theory Study via an … HK Tian, R Jalem, B Gao, Y Yamamoto, S Muto, M Sakakura, Y Iriyama, ... ACS Applied Materials & Interfaces, 2020 | 48 | 2020 |
| Nanometer-size Na cluster formation in micropore of hard carbon as origin of higher-capacity Na-ion battery Y Youn, B Gao, A Kamiyama, K Kubota, S Komaba, Y Tateyama npj Computational Materials 7 (1), 1-8, 2021 | 41 | 2021 |
| Structure prediction of atoms adsorbed on two-dimensional layer materials: method and applications B Gao, X Shao, J Lv, Y Wang, Y Ma The Journal of Physical Chemistry C 119 (34), 20111-20118, 2015 | 36 | 2015 |
| First-Principles Study of Microscopic Electrochemistry at the LiCoO2 Cathode/LiNbO3 Coating/β-Li3PS4 Solid Electrolyte Interfaces in an All-Solid-State Battery B Gao, R Jalem, Y Tateyama ACS Applied Materials & Interfaces, 2021 | 35 | 2021 |
| Anatase (101)-like Structural Model Revealed for Metastable Rutile TiO2(011) Surface M Xu, S Shao, B Gao, J Lv, Q Li, Y Wang, H Wang, L Zhang, Y Ma ACS applied materials & interfaces 9 (9), 7891-7896, 2017 | 35 | 2017 |
| Mixed-Salt Enhanced Chemical Vapor Deposition of Two-Dimensional Transition Metal Dichalcogenides S Li, YC Lin, J Hong, B Gao, HE Lim, X Yang, S Liu, Y Tateyama, ... Chemistry of Materials, 2021 | 31 | 2021 |
| Revealing Atomic‐Scale Ionic Stability and Transport around Grain Boundaries of Garnet Li7La3Zr2O12 Solid Electrolyte B Gao, R Jalem, HK Tian, Y Tateyama Advanced Energy Materials 12 (3), 2102151, 2022 | 30 | 2022 |
| High-Pressure Evolution of Unexpected Chemical Bonding and Promising Superconducting Properties of YB6 J Wang, X Song, X Shao, B Gao, Q Li, Y Ma The Journal of Physical Chemistry C 122 (49), 27820-27828, 2018 | 26 | 2018 |
| Theoretical study on stability and ion transport property with halide doping of Na 3 SbS 4 electrolyte for all-solid-state batteries R Jalem, B Gao, HK Tian, Y Tateyama Journal of Materials Chemistry A, 2021 | 19 | 2021 |
| A theoretical study of several fully hydrogenated borophenes L Shao, X Duan, Y Li, Q Yuan, B Gao, H Ye, P Ding Physical Chemistry Chemical Physics 21 (14), 7630-7634, 2019 | 18 | 2019 |
| An automated predictor for identifying transition states in solids K Yin, P Gao, X Shao, B Gao, H Liu, J Lv, ST John, Y Wang, Y Ma npj Computational Materials 6 (1), 1-10, 2020 | 17 | 2020 |
| Atomistic insight into the dopant impacts at the garnet Li 7 La 3 Zr 2 O 12 solid electrolyte grain boundaries B Gao, R Jalem, Y Tateyama Journal of Materials Chemistry A, 2022 | 16 | 2022 |
wang yanchaoJilin UniveristyVerified email at jlu.edu.cn
