Journal article
Temperature-Dependent Approach to Electronic Charge Transfer
Abstract
A charge transfer model is developed within the framework of the grand canonical ensemble through the analysis of the behavior of the fractional charge as a function of the chemical potential of the bath when the temperature and the external chemical potential are kept fixed. Departing from the fact that, before the interaction between two species, each one has a zero fractional charge, one can identify two situations after the interaction …
Authors
Franco-Pérez M; Gázquez JL; Ayers PW; Vela A
Journal
The Journal of Physical Chemistry A, Vol. 124, No. 26, pp. 5465–5473
Publisher
American Chemical Society (ACS)
Publication Date
July 2, 2020
DOI
10.1021/acs.jpca.0c02496
ISSN
1089-5639