15,16-Dinitrile DDP/CPD as a possible solid-state optical molecular switch

15,16-Dinitrile dihydropyrene (DDP) can switch reversibly to cyclophanediene (CPD) under photoexcitation and is one of good candidates for solid-state optical switches. Using non-equilibrium Green’s function method combined with first-principles density functional theory, the photoswitching of condu...

Full description

Saved in:
Bibliographic Details
Published in:Chemical physics letters 2008-08, Vol.453 (1), p.62-67
Main Authors: Zhao, Peng, Fang, Chang-feng, Xia, Cai-juan, Liu, De-sheng, Xie, Shi-jie
Format: Article
Language:English
Citations: Items that this one cites
Items that cite this one
Online Access:Get full text
Tags: Add Tag
No Tags, Be the first to tag this record!
Description
Summary:15,16-Dinitrile dihydropyrene (DDP) can switch reversibly to cyclophanediene (CPD) under photoexcitation and is one of good candidates for solid-state optical switches. Using non-equilibrium Green’s function method combined with first-principles density functional theory, the photoswitching of conductivities of 15,16-dinitrile dihydropyrene/cyclophanediene (DDP/CPD) molecular wires with three typical adsorption sites are investigated. A 4–6 times conduction enhancement is predicted for the closed-ring DDP over the open-ring CPD. The main effect on the conduction enhancement is discussed in terms of effective conjugation length and HOMO–LUMO gap. DDP/CPD is one of good candidates for solid-state optical switches due to its unique advantages, i.e., minimal conformational change during a switching cycle and complete conversion from one isomer to the other, and may have some future application.
ISSN:0009-2614
1873-4448
DOI:10.1016/j.cplett.2007.12.074