Conductance of a phenylene-vinylene molecular wire: Contact gap and tilt angle dependence
Charge transport through a molecular junction comprising an oligomer of p-phenylene-vinylene between gold contacts has been investigated using density-functional theory and the nonequilibrium Green's function method. The influence of the contact gap geometry on the transport has been studied fo...
| Main Authors: | , , , , , |
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| Format: | Journal Article |
| Published: |
American Physical Society
2010
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| Online Access: | http://hdl.handle.net/20.500.11937/28223 |