Listar por autor "Ávila-Ferrer, Francisco José"

Mostrando ítems 21-23 de 23

The influence of electrode potential on SERS through the electronic structure of nanostructured metal-cyanide interfaces

Otero-Fernández-de-Molina, Juan Carlos; García-González, Francisco; Aranda Ruiz, Daniel; Ávila-Ferrer, Francisco José (2022-03-15)

Experimental and theoretical calculations confirm the existence of two different electronic structures of a surface complex formed by a particular molecule bonded to charged metal electrodes, clusters, or nanoparticles. ...
Vibronic Spectra for reduced-dimensionality models: Application to the Circular dichroism of chiral polythiophenes

Aranda Ruiz, Daniel; Cerezo Bastida, Javier; Ávila-Ferrer, Francisco José; Santoro, Fabrizio (2018-03-09)

Methods to compute vibronic spectra of rigid systems are mature enough to become standard, however, when modelling complex systems is convenient to consider one part that represent the “true” system (i.e. chromophore in a ...
Voltage selection of physisorbed or chemisorbed 4-cyanobenzoate on a nanostructured silver electrode and the dual electronic structure of charged metal-molecule hybrids.

Valdivia Mantas, Samuel; Ávila-Ferrer, Francisco José; Otero-Fernández-de-Molina, Juan Carlos; López-Tocón, Isabel (Elsevier, 2021-11-30)

Applied electric potentials tune SERS wavenumbers due to vibrational Stark effect, but some modes of 4CNB- show two differentiated regions, being redshifted at more negative potentials than the potential of zero charge of ...