title: On the dual character of charged metal-molecule hybrids and the opposite behaviour of the forward and reverse CT processes.
abstract: DFT calculations predict two different electronic structures of metal-molecule hybrids which are selected depending on the surface charge. While the metal-to-molecule CT states are very sensitive to the charge, the energies of the reverse molecule-to-metal CT processes are surprisingly not modified at all by the charge of the metal.
authors.affiliation: Universidad de Málaga, Facultad de Ciencias, Dept. de Química Física, Unidad Asociada CSIC, 29071-Málaga, España. tocon@uma.es, jc_otero@uma.es.
authors.forename: J
authors.initials: J
authors.lastname: Roman-Perez
authors.forename: S P
authors.initials: SP
authors.lastname: Centeno
authors.forename: M R
authors.initials: MR
authors.lastname: López-Ramírez
authors.forename: J F
authors.initials: JF
authors.lastname: Arenas
authors.forename: J
authors.initials: J
authors.lastname: Soto
authors.forename: I
authors.initials: I
authors.lastname: López-Tocón
authors.forename: J C
authors.initials: JC
authors.lastname: Otero