Zobrazeno 1 - 2
of 2
pro vyhledávání: '"M. Ezequiel Castillo"'
Publikováno v:
The Journal of Physical Chemistry C. 119:5090-5097
Using a combination of density functional theory and nonequilibrium Green’s function calculations, the effect of mechanically stretching a biphenyl-based molecular switch bonded to Au electrodes was studied. Thermodynamic and transport properties o
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a36cfc9d0659284d86580b052f6216f3
https://doi.org/10.1021/jp510697a
https://doi.org/10.1021/jp510697a
Publikováno v:
The Journal of Physical Chemistry C. 117:25724-25732
DFT calculations were performed on a biphenyl-based molecule bonded to gold nanoleads in order to evaluate its potential as a reversible molecular switch. The torsion angle (φ) between the aromatic rings may be controlled by means of reducing a disu
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::92d31d09b3306e461c5f164f3c9ed0f8
https://doi.org/10.1021/jp4046963
https://doi.org/10.1021/jp4046963