Journal
JOURNAL OF PHYSICAL CHEMISTRY C
Volume 111, Issue 51, Pages 19098-19102Publisher
AMER CHEMICAL SOC
DOI: 10.1021/jp077533f
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By applying nonequilibrium Green's functions coupled with first-principles electronic structures, we investigate the transport properties of the molecule device with a donor-acceptor molecular complex sandwiched between two electrodes. The results show that the system manifests negative differential resistance (NDR) behavior. It is found that the orbital match of molecule and electrodes as well as intermolecular charge transfer are responsible for the NDR behavior.
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