The Quantum Length Dependence of Conductance in Molecular Device: An Ab Initio Study
2010 ◽
Vol 663-665
◽
pp. 519-522
Keyword(s):
By Applying Nonequilibrium Green’s Function Formalism Combined First-Principles Density Functional Theory, we Investigate the Electronic Transport Properties of Thiophene and Furan Molecules with Different Quantum Length. the Influence of HOMO-LUMO Gaps and the Spatial Distributions of Molecular Orbitals on the Electronic Transport through the Molecular Device Are Discussed in Detail. the Results Show that the Transport Behaviors Are Determined by the Distinct Electronic Structures of the Molecular Compounds. the Length Dependence of Molecular Conductance Exhibits its Diversity for Different Molecules.
2012 ◽
Vol 11
(04)
◽
pp. 735-743
◽
2010 ◽
Vol 152-153
◽
pp. 931-934
2010 ◽
Vol 152-153
◽
pp. 839-842
◽
Keyword(s):
2010 ◽
Vol 25
(6)
◽
pp. 1030-1036
◽
2011 ◽
Vol 311-313
◽
pp. 526-529
2017 ◽
Vol 19
(5)
◽
pp. 3679-3687
◽
2017 ◽
Vol 31
(33)
◽
pp. 1750310
◽
2015 ◽
Vol 29
(13)
◽
pp. 1550087