Impact of offset energies on the yield of interfacial charge separation in molecular photocells

Tahereh Nemati Aram, Matthias Ernzerhof, Asghar Asgari, Didier Mayou

Research output: Contribution to journalArticle

2 Citations (Scopus)

Abstract

We display that the process of charge carriers' separation at molecular photocells is a complex phenomenon that is controlled by the cumulative action of Coulomb interaction for electron-hole pairs and LUMO-LUMO offset energies. By applying quantum scattering theory and the Lippmann-Schwinger equation, we provide a comprehensive framework of the device operation in which the operating molecular photocell is described by a wave function. We find that depending on the magnitude of offset energies, the electron-hole interaction can normally decrease or abnormally increase the charge separation yield. To rationalize the results, we benefit from the spectral information provided in the model. Our analysis helps to optimize molecular photocells operation.

Original languageEnglish
Article number064102
JournalJournal of Chemical Physics
Volume149
Issue number6
DOIs
Publication statusPublished - 14 Aug 2018

Fingerprint Dive into the research topics of 'Impact of offset energies on the yield of interfacial charge separation in molecular photocells'. Together they form a unique fingerprint.

Cite this