Bo Gao

Interface structure prediction via CALYPSO method

Bo Gao, Pengyue Gao, Shaohua Lu et al. · Science Bulletin · 2019 · 294 citations

Engineering, Interface Structure Prediction, Numerical Simulation +7

Screening Surface Structure of MXenes by High-Throughput Computation and Vibrational Spectroscopic Confirmation

Tao Hu, Minmin Hu, Bo Gao et al. · The Journal of Physical Chemistry C · 2018 · 222 citations

Surface Structure, Engineering, Theoretical Inorganic Chemistry +17

Tunable Doping of Rhenium and Vanadium into Transition Metal Dichalcogenides for Two‐Dimensional Electronics

Shisheng Li, Jinhua Hong, Bo Gao et al. · Advanced Science · 2021 · 123 citations · Full text

Nanometer-size Na cluster formation in micropore of hard carbon as origin of higher-capacity Na-ion battery

Yong Youn, Bo Gao, Azusa Kamiyama et al. · npj Computational Materials · 2021 · 99 citations · Full text

Engineering, Chemistry, Sodium Battery +18

A high-yield synthesis of [m]biphenyl-extended pillar[n]arenes for an efficient selective inclusion of toluene and m-xylene in the solid state

Bo Gao, Lili Tan, Nan Song et al. · Chemical Communications · 2016 · 87 citations