期刊文献+

H_2分子器件电子输运性质的模拟计算

Theoretical Study on the Electron Transport Properties of Hydrogen Molecular Device
下载PDF
导出
摘要 理论计算H2分子在一维Pt链电极间形成的分子桥的伏安特性和电导,结果表明在两端金属电极作用下,H2分子的能隙减小,使得体系导电性能提高。 The standard elastic electronic transport theory is introduced concisely;a theoretical study on transport properties of a H2 molecule bridged between one-dimensional Pt chains is carried out.The result shows that the conductance of the system is attributed to the reduction of the energy-gap of the H2 under the effect of metal electrodes.
机构地区 济南大学理学院
出处 《济南大学学报(自然科学版)》 CAS 2007年第4期299-301,共3页 Journal of University of Jinan(Science and Technology)
基金 济南大学科技发展基金(Y0512)
关键词 分子电子学 电子输运 TranSIESTA程序 molecular electronics electron transport Tran SIESTA program
  • 相关文献

参考文献10

  • 1Taylor J,Brandbyge M,Stokbro K.Theory of rectification in Tourwires:the role of electrode coupling[].Physical Review Letters.2002
  • 2Brandbyge M,Mozos J L,Ordej幃n P,et al.Density functional meth-od for non-equilibrium electron transport[].Physical Review B Condensed Matter and Materials Physics.2002
  • 3Stokbro K,Mozos J L,Ordej幃n P,et al.Theoretical study of thenonlinear conductance of Di-thiol benzene coupled to Au(111)surfaces via thiol and thiolate bonds. Computational MaterialsScience . 2003
  • 4Bumm L A,Amold J J,Cygan M T,et al.Are single molecularwires conducting[].Science.1996
  • 5Economou E N.Green’s functions in quantum physics[]..1990
  • 6Sellers H,Ulman A,Shnidman Y,et al.Structure and Binding ofAlkye Thiolates on Gold and Silver Surfaces:Implications for self-assembly[].Journal of the American Chemical Society.1993
  • 7Reed M A,Zhou C,Muller C J,et al.Conductance of a moleculejunction[].Science.1997
  • 8Cheng W W,Chen H,Note R,et al.Electron transport through mo-lecular wire:effect of isomery[].Physica E Low dimensional Systems Nanostructures.2005
  • 9Kaiser F J,Strass M,Kohler S,et al.Coherent charge transportthrough molecular wires:Influence of strong Coulomb repulsion[].The Journal of Chemical Physics.2006
  • 10Datta S.Electronic transport in mesoscopic systems[]..1997

相关作者

内容加载中请稍等...

相关机构

内容加载中请稍等...

相关主题

内容加载中请稍等...

浏览历史

内容加载中请稍等...
;
使用帮助 返回顶部