Zekan Qian

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 · 75 citations

Natural Sciences, Chemistry, Physics +12

Stability and electronic structure of single-walled InN nanotubes

Zekan Qian, Shimin Hou, Jiaxing Zhang et al. · Physica E Low-dimensional Systems and Nanostructures · 2005 · 57 citations

Natural Sciences, Materials Science, Physics +13

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

Natural Sciences, Chemistry, Physics +17

An efficient nonequilibrium Green’s function formalism combined with density functional theory approach for calculating electron transport properties of molecular devices with quasi-one-dimensional electrodes

Zekan Qian, Rui Li, Shimin Hou et al. · The Journal of Chemical Physics · 2007 · 49 citations

Natural Sciences, Chemistry, Physics +16

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

Natural Sciences, Chemistry, Physics +17