activity
20032013
most citedElectron Transport Through Molecules: Self-consistent and Non-self-consistent Approaches

237 citations · 1.2k across the 22 of their papers we have counts for

collaborators

22 papers

cond-mat.mes-hall2013

Regular quantum plasmons in segments of graphene nanoribbons

Bao-Ji Wang, San-Huang Ke, Hai-Qing Lin

Graphene plasmons have advantages over noble metal plasmons, such as high tunability and low loss. However, for graphene nanostructures smaller than 10 nm, little is known about th…

cond-mat.mes-hall2013★ 4 cited

Conductance of Ferro- and Antiferro-magnetic single-atom contacts: A first-principles study

Zhi-Yun Tan, Xiao-long Zheng, Xiang Ye +2

We present a first-principles study on the spin denpendent conductance of five single-atom magnetic junctions consisting of a magnetic tip and an adatom adsorbed on a magnetic surf…

cond-mat.mes-hall2012★ 4 cited

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…

cond-mat.mtrl-sci2012

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…

cond-mat.mes-hall2012★ 22 cited

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…

cond-mat.mes-hall2012★ 21 cited

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…