Xin Xu

Advances in molecular quantum chemistry contained in the Q-Chem 4 program package

Yihan Shao, Zhengting Gan, Evgeny Epifanovsky et al. · Molecular Physics · 2014 · 3.1K citations

Program Package, Engineering, Theoretical Inorganic Chemistry +22

ReaxFF_SiO Reactive Force Field for Silicon and Silicon Oxide Systems

Adri C. T. van Duin, Alejandro Strachan, Shannon F. Stewman et al. · The Journal of Physical Chemistry A · 2003 · 964 citations

Materials Science, Engineering, Force Field +15

The X3LYP extended density functional for accurate descriptions of nonbond interactions, spin states, and thermochemical properties

Xin Xu, William A. Goddard · Proceedings of the National Academy of Sciences · 2004 · 941 citations · Full text

In Situ Growth of Co_0.85Se and Ni_0.85Se on Conductive Substrates as High-Performance Counter Electrodes for Dye-Sensitized Solar Cells

Feng Gong, Hong Wang, Xin Xu et al. · Journal of the American Chemical Society · 2012 · 758 citations

Conductive Substrates, Graphene-like Co, Engineering +17

Single-Atomic Cu with Multiple Oxygen Vacancies on Ceria for Electrocatalytic CO₂ Reduction to CH₄

Yifei Wang, Zheng Chen, Peng Han et al. · ACS Catalysis · 2018 · 659 citations

Engineering, Nanoheterogeneous Catalysis, Nanocatalysis +17