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Theoretical investigations on the orientational dependence of electron transport through porphyrin molecular wire

✍ Scribed by Yanwei Li; Jinhuan Yao; Shengkui Zhong; Zhengguang Zou


Book ID
113514066
Publisher
Elsevier Science
Year
2011
Tongue
English
Weight
845 KB
Volume
11
Category
Article
ISSN
1567-1739

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The effect of CO adsorption on the electron transport behavior of single Fe-porphyrin molecular wire with sulfur end groups bonded to two gold (1 1 1) electrodes is investigated using nonequilibrium Green's function formalism combined with first-principles density functional theory. The currentvolta