Marcelo L. Pereira Júnior · Wiliam F. da Cunha · Rafael T. de Sousa Júnior · Geraldo M. e Silva · Luiz A. Ribeiro Júnior
Two-dimensional C60 crystals are treated with a Holstein− Peierls model that takes into account both intra- and intermolecular vibrational modes to describe charge transport. By virtue of this procedure, we obtained the set of values for intra- and intermolecular electron−phonon coupling that makes it possible to study stationary properties of polarons as well as to investigate the transport regime of the charge carriers. This is carried out by considering the presence of anisotropy of electronic terms and effects because of the application of external electric fields. We have mapped the regimes in which polarons of different nature, each endowing the system with different properties, are observed.
Journal of Physical Chemistry C, 2019 · Fator de impacto 3,4.
DOI 10.1021/acs.jpcc.9b00705