| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1860658 | Physics Letters A | 2009 | 4 Pages |
Abstract
The effect of O2 adsorption on the electron transport behavior of Fe-porphyrin molecule is investigated by the first-principles computational approach. The current–voltage characteristics of Fe-porphyrin and O2 adsorbed Fe-porphyrin between gold electrodes are calculated. We find that the conductance of the Fe-porphyrin decreases dramatically upon the adsorption of O2, which suggests that this system has potential application as a molecular sensor or a switch. This switching-behavior is analyzed from the evolutions of the transmission spectra and the molecular projected self-consistent Hamiltonian states of the molecular systems.
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Physical Sciences and Engineering
Physics and Astronomy
Physics and Astronomy (General)
Authors
Y.W. Li, J.H. Yao, C.J. Liu, J.W. Yang, C.L. Yang,