The non-adiabatic exciton transfer in tetrathiafulvalene chains: a theoretical study of signal transmission in a molecular logic system

Using an exciton as a carrier was examined as a possible solution to the problem of signal transmission between molecular logic gates. A tetrathiafulvalene chain was chosen as a model for a molecular logic system and its distinct logic states were described as excitons located at certain tetrathiafu...

Full description

Saved in:
Bibliographic Details
Published in:Physical chemistry chemical physics : PCCP 2020-11, Vol.22 (43), p.25243-25254
Main Authors: Martynov, A. I, Belov, A. S, Nevolin, V. K
Format: Article
Language:English
Subjects:
Chains
Electron states
Excitons
Functional groups
Logic circuits
Parameters
Signal transmission
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:Using an exciton as a carrier was examined as a possible solution to the problem of signal transmission between molecular logic gates. A tetrathiafulvalene chain was chosen as a model for a molecular logic system and its distinct logic states were described as excitons located at certain tetrathiafulvalene units. The parameters of the exciton transfer between the units of the chain were studied. The transfer rate between the two adjacent units was calculated using the Plotnikov-Bixon-Jortner theory basing on molecular parameters calculated using TD-DFT. The order of electronic states was studied at the MCQDPT and TD-DFT levels of theory. It was found that certain functional groups in the chain can make exciton transfer faster than its recombination. The exciton can effectively carry a signal through the chain, which in turn can be enlarged and modified. Using an exciton as a carrier was examined as a possible solution to the problem of signal transmission between molecular logic gates.
ISSN:1463-9076
1463-9084
DOI:10.1039/d0cp03065a