INVESTIGADORES
MORALES Gustavo Marcelo
artículos
Título:
Asymmetric current-voltage characteristics of molecular junctions containing bipolar molecules
Autor/es:
GASYNA, Z.L.; MORALES, G.M.; SANCHEZ, A.; YU, L.
Revista:
CHEMICAL PHYSICS LETTERS
Editorial:
Elsevier Science Ltd.
Referencias:
Año: 2006 vol. 417 p. 401 - 405
ISSN:
0009-2614
Resumen:
The asymmetric currentvoltage (IV) curves are computed for a conjugated biphenylbipirimidine diblock oligomer with two thiol end groups sandwiched between Au(1 1 1) electrode surfaces. The method is based on density functional theory and self-consistently determines the electronic structure of the molecule coupled to the gold electrodes with varied electrochemical potentials. Spatial asymmetry in the molecule is found to be essential in generating the IV asymmetry.
