First-Principles Study of Triangle Terarylene as a Possible Optical Molecular Switch
2011 ◽
Vol 311-313
◽
pp. 526-529
Keyword(s):
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.
2010 ◽
Vol 152-153
◽
pp. 839-842
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Keyword(s):
2018 ◽
Vol 25
(03)
◽
pp. 1850070
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2012 ◽
Vol 11
(04)
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pp. 735-743
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2010 ◽
Vol 663-665
◽
pp. 519-522
2006 ◽
Vol 527-529
◽
pp. 1583-1586
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2010 ◽
Vol 152-153
◽
pp. 931-934
2011 ◽
Vol 284-286
◽
pp. 816-819
2017 ◽
Vol 31
(02)
◽
pp. 1650255
2012 ◽
Vol 26
(19)
◽
pp. 1250106
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Keyword(s):