Heat transport induced by electron transfer: A general temperature quantum calculation

Bingyu Cui, Galen T. Craven, Abrahan Nitzan

Research output: Contribution to journalArticlepeer-review

Abstract

Electron transfer dominates chemical processes in biological, inorganic, and material chemistry. Energetic aspects of such phenomena, in particular, the energy transfer associated with the electron transfer process, have received little attention in the past but are important in designing energy conversion devices. This paper generalizes our earlier work in this direction, which was based on the semiclassical Marcus theory of electron transfer. It provides, within a simple model, a unified framework that includes the deep (nuclear) tunneling limit of electron transfer and the associated heat transfer when the donor and acceptor sites are seated in environments characterized by different local temperatures. The electron transfer induced heat conduction is shown to go through a maximum at some intermediate average temperature where quantum effects are already appreciable, and it approaches zero when the average temperature is very high (the classical limit) or very low (deep tunneling).

Original languageEnglish
Article number194104
JournalJournal of Chemical Physics
Volume155
Issue number19
DOIs
StatePublished - 21 Nov 2021

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