237 citations · 1.2k across the 22 of their papers we have counts for
4 papers · 1 filter
Conductance of single-atom magnetic junctions: A first-principles study
Yi-qun Xie, Qiang Li, Lei Huang +2
We present a first-principles investigation to show that the contact conductance of a half conductance quantum () found previously does not generally hold for single-atom ma…
Hydrogen storage in MOF-5: A van der Waals density functional theory study
Yue Huang, San-Huang Ke
Physisorption of hydrogen molecules in metal-organic frameworks (MOFs) provides a promising way for hydrogen storage, in which the van der Waals (vdW) interaction plays an importan…
Plasmon excitations in planar sodium clusters
Bao-Ji Wang, San-Huang Ke
The collective electronic excitation in planar sodium clusters is studied by time-dependent density functional theory calculations. The formation and development of the resonances…
Highly tunable spin-dependent electron transport through carbon atomic chains connecting two zigzag graphene nanoribbons
Yuehua Xu, Bao-Ji Wang, San-Huang Ke
Motivated by recent experiments of successfully carving out stable carbon atomic chains from graphene, we investigate a device structure of a carbon chain connecting two zigzag gra…