Effect of anchoring groups on the electronic transport properties of biphenyl and phenyl-pyridine molecules
Single-molecule quantum transport calculations are performed using nonequilibrium Green's functional formalism for biphenyl and phenyl-pyridine molecules asymmetrically anchored to gold electrodes via different edge groups. Clear current rectification is obtained depending on the edge group of...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
Elsevier
2021-05-01
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| Series: | Journal of Materials Research and Technology |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S2238785421002040 |