Switching of functionalized azobenzene suspended between gold tips by mechanochemical, photochemical, and opto-mechanical means.
Phys Chem Chem Phys
; 12(42): 13922-32, 2010 Nov 14.
Article
en En
| MEDLINE
| ID: mdl-20844786
Optical, purely mechanical, and combined opto-mechanical switching cycles of a molecular switch embedded in a metal junction are investigated using density functional theory and (excited state) ab initio molecular dynamics. The nanomechanical simulations are done on realistic models of gold electrode tips bridged by a single dithioazobenzene molecule. Comparison of different tip models shows that the nature of the tips affects switching processes both qualitatively and quantitatively. The study predicts that purely photochemical cisâtrans switching cycles of suspended azobenzene bridges are mechanically hindered; combined opto-mechanical as well as purely mechanochemical forward and backward switching is, however, feasible.
Texto completo:
1
Colección:
01-internacional
Base de datos:
MEDLINE
Tipo de estudio:
Prognostic_studies
Idioma:
En
Revista:
Phys Chem Chem Phys
Asunto de la revista:
BIOFISICA
/
QUIMICA
Año:
2010
Tipo del documento:
Article
País de afiliación:
Eslovaquia
Pais de publicación:
Reino Unido