Peer-Reviewed Journal Details
Mandatory Fields
Delaney, P;Nolan, M;Greer, JC
2005
January
Chemical Physics
Symmetry, delocalization, and molecular conductance
Validated
WOS: 22 ()
Optional Fields
BAND LINEUP CONTACTS MONOLAYERS TRANSPORT THIOL
122
Molecules bonded between two metal contacts form the simplest possible molecular devices. Coupled by the molecule, the left and right contact-based states form symmetric and antisymmetric pairs near the Fermi level. We relate the size of the resulting energy splitting DeltaE to the symmetry and degree of delocalization of the coupling molecular orbital. Qualitative trends in molecular conductances are then estimated from the variations in DeltaE. We examine benzenedithiol and other molecules of interest in transport. (C) 2005 American Institute of Physics.
MELVILLE
0021-9606
10.1063/1.1836754
Grant Details