Distributed response analysis of conductive behavior in single molecules.
The ab initio computational approach of distributed response analysis is used to quantify how electrons move across conjugated molecules in an electric field, in analogy to conduction. The method promises to be valuable for characterizing the conductive behavior of single molecules in electronic devices.
in het Panhuis
Marc
M
Materials Ireland Polymer Research Centre, Department of Physics, Trinity College, Dublin 2, Ireland. inhetpm@tcd.ie
Munn
Robert W
RW
Popelier
Paul L A
PL
Coleman
Jonathan N
JN
Foley
Brian
B
Blau
Werner J
WJ