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Search: WFRF:(Li Yuqing) > (2010-2014) > Linköping University

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1.
  • Ji, Guomin, et al. (author)
  • Enhanced rectifying performance by asymmetrical gate voltage for BDC20 molecular devices
  • 2014
  • In: RSC Advances. - : Royal Society of Chemistry. - 2046-2069. ; 4:32, s. 16537-16544
  • Journal article (peer-reviewed)abstract
    • By applying the asymmetrical gate voltage on the 1,4-bis (fullero[c]pyrrolidin-1-yl) benzene BDC20 molecule, we investigate theoretically its electronic transport properties using the density functional theory and nonequilibrium Greens function formalism for a unimolecule device with metal electrodes. Interestingly, the rectifying characteristic with very high rectification ratio, 91.7 and 24.0, can be obtained when the gate voltage is asymmetrically applied on the BDC20 molecular device. The rectification direction can be tuned by the different gate voltage applying regions. The rectification behavior is understood in terms of the evolution of the transmission spectrum and projected density of states spectrum with applied bias combined with molecular projected self-consistent Hamiltonian states analyses. Our finding implies that to realize and greatly promote rectifying performance of the BDC20 molecule the variable gate voltage applying position might be a key
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2.
  • Ji, Guomin, et al. (author)
  • Rectifying behaviors of an Au/(C-20)(2)/Au molecular device induced by the different positions of gate voltage
  • 2012
  • In: RSC ADVANCES. - : RSC Publishing. - 2046-2069. ; 2:30, s. 11349-11353
  • Journal article (peer-reviewed)abstract
    • The electronic transport properties of a gated Au/(C-20)(2)/Au molecular device are studied using nonequilibrium Greens function in combination with density functional theory. The results show that different applied positions of the external transverse gate voltage can effectively tune the current-voltage (I-V) characteristic of molecular devices. Rectifying behaviors of the device can be realized when the gate voltage is applied asymmetrically on the left C-20 molecule, and the rectification directions can also be modulated by the positive or negative value of the gate voltage. These results provide an important theoretical support to experiments and the design of a molecular rectifier.
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  • Result 1-2 of 2
Type of publication
journal article (2)
Type of content
peer-reviewed (2)
Author/Editor
Ji, Guomin (2)
Cui, Bin (2)
Xu, Yuqing (2)
Li, Dongmei (2)
Liu, Desheng (2)
Fang, Changfeng (1)
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Zhao, Wenkai (1)
Fang, Chang-feng (1)
Kong, Xiangru (1)
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University
Linköping University  (2)Undo refine
Language
English (2)

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