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25 April 2024 |
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Article overview
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Asymmetric currents in a donor (D)-bridge (B)-acceptor (A) single molecule - revisit of the Aviram-Ratner diode | Haiying He
; Ravindra Pandey
; Govind Mallick
; Shashi P. Karna
; | Date: |
19 Sep 2008 | Abstract: | The quantum transport via a donor (D)-bridge (B)-acceptor (A) single molecule
is studied using density functional theory in conjunction with the
Landauer-B"{u}ttiker formalism. Asymmetric electrical response for opposite
biases is observed resulting in significant rectification in current. The
intrinsic dipole moment induced by substituent side groups in the molecule
leads to enhanced/reduced polarization of the system under a forward/reverse
applied potential, thus asymmetry in the charge distribution and the electronic
current under bias. Under a forward bias, the energy gap between the D and A
frontier orbitals closes and the current increases rapidly; whereas under a
reverse bias, the D-A gap widens and the current remains small. | Source: | arXiv, 0809.3268 | Services: | Forum | Review | PDF | Favorites |
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