Xingyu Zhao

Challenges and design strategies for high performance aqueous zinc ion batteries

Xingyu Zhao, Xinqi Liang, Li Yu et al. · Energy storage materials · 2021 · 172 citations

Materials Science, Electric Battery, Chemical Engineering +7

A corrected NEGF+DFT approach for calculating electronic transport through molecular devices: Filling bound states and patching the non-equilibrium integration

Rui Li, Jiaxing Zhang, Shimin Hou et al. · Chemical Physics · 2007 · 74 citations

Negf+dft Approach, Engineering, Physics +13

First-principles calculation of the conductance of a single 4,4 bipyridine molecule

Shimin Hou, Jiaxing Zhang, Rui Li et al. · Nanotechnology · 2005 · 56 citations

Engineering, First-principles Calculation, Computational Chemistry +18

An accurate and efficient self-consistent approach for calculating electron transport through molecular electronic devices: including the corrections of electrodes

Jiaxing Zhang, Shimin Hou, Rui Li et al. · Nanotechnology · 2005 · 54 citations

Engineering, Theoretical Inorganic Chemistry, Computational Chemistry +20

Analysis on the contribution of molecular orbitals to the conductance of molecular electronic devices

Rui Li, Shimin Hou, Jiaxing Zhang et al. · The Journal of Chemical Physics · 2006 · 48 citations

Engineering, Computational Chemistry, Chemistry +19