title: The impact of long-range electron-hole interaction on the charge separation yield of molecular photocells.
abstract: We discuss the effects of charge carrier interaction and recombination on the operation of molecular photocells. Molecular photocells are devices where the energy conversion process takes place in a single molecular donor-acceptor complex attached to electrodes. Our investigation is based on the quantum scattering theory, in particular on the Lippmann-Schwinger equation; this minimizes the complexity of the problem while providing useful and non-trivial insight into the mechanism governing photocell operation. In this study, both exciton pair creation and dissociation are treated in the energy domain, and therefore there is access to detailed spectral information, which can be used as a framework to interpret the charge separation yield. We demonstrate that the charge carrier separation is a complex process that is affected by different parameters, such as the strength of the electron-hole interaction and the non-radiative recombination rate. Our analysis helps to optimize the charge separation process and the energy transfer in organic solar cells and in molecular photocells.
authors.affiliation: Research Institute for Applied Physics and Astronomy, University of Tabriz, Tabriz 51665-163, Iran.
authors.forename: Tahereh
authors.initials: T
authors.lastname: Nemati Aram
authors.affiliation: Département de Chimie, Université de Montréal, C.P. 6128 Succursale A, Montréal, Québec H3C 3J7, Canada.
authors.forename: Matthias
authors.initials: M
authors.lastname: Ernzerhof
authors.affiliation: Research Institute for Applied Physics and Astronomy, University of Tabriz, Tabriz 51665-163, Iran.
authors.forename: Asghar
authors.initials: A
authors.lastname: Asgari
authors.affiliation: Institut Néel, CNRS and Université Grenoble Alpes, Grenoble F-38042, France.
authors.forename: Didier
authors.initials: D
authors.lastname: Mayou