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
275 2019 Superhard M Zhang, H Liu, Q Li, B Gao, Y Wang, H Li, C Chen, Y Ma
Physical review letters 114 (1), 015502, 2015
210 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
181 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
110 2021 Surface-Dependent Stability of the Interface between Garnet Li7 La3 Zr2 O12 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
73 2020 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
73 2019 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
64 2016 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
63 2020 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
58 2019 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
52 2021 First-Principles Study of Microscopic Electrochemistry at the LiCoO2 Cathode/LiNbO3 Coating/β-Li3 PS4 Solid Electrolyte Interfaces in an All-Solid-State Battery B Gao, R Jalem, Y Tateyama
ACS Applied Materials & Interfaces, 2021
48 2021 Revealing Atomic‐Scale Ionic Stability and Transport around Grain Boundaries of Garnet Li7 La3 Zr2 O12 Solid Electrolyte B Gao, R Jalem, HK Tian, Y Tateyama
Advanced Energy Materials 12 (3), 2102151, 2022
42 2022 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
37 2015 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
36 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
30 2017 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
27 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
26 2021 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
22 2022 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
22 2020 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 
wang yanchaoJilin UniveristyEmail verificata su jlu.edu.cn
