Paper Title:
First-Principles Study of Triangle Terarylene as a Possible Optical Molecular Switch
  Abstract

Using non-equilibrium Green’s function formalism combined with first-principles density functional theory, we investigate the electronic transport properties of a triangle terarylene(open- and closed-ring forms) optical molecular switch. The influence of the HOMO-LUMO gaps and the spatial distributions of molecular orbitals on the quantum transport through the molecular device is discussed. Theoretical results show that the conductance of the closed-ring is 3-8 times larger than that of open-ring, which expect that this system can be one of good candidates for optical switches due to this unique advantage, and may have some potential applications in future molecular circuit.

  Info
Periodical
Advanced Materials Research (Volumes 311-313)
Chapter
Micro/Nano Materials
Edited by
Zhongning Guo
Pages
526-529
DOI
10.4028/www.scientific.net/AMR.311-313.526
Citation
C. J. Xia, H. C. Liu, J. X. Yin, "First-Principles Study of Triangle Terarylene as a Possible Optical Molecular Switch", Advanced Materials Research, Vols. 311-313, pp. 526-529, 2011
Online since
August 2011
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Price
$32.00
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