Electron-transfer-induced and phononic heat transport in molecular environments

Renai Chen, Galen T. Craven, Abraham Nitzan

Research output: Contribution to journalArticlepeer-review

Abstract

A unified theory of heat transport in environments that sustain intersite phononic coupling and electron hopping is developed. The heat currents generated by both phononic transport and electron transfer between sites characterized by different local temperatures are calculated and compared. Using typical molecular parameters we find that the electron-transfer-induced heat current can be comparable to that of the standard phononic transport for donor-acceptor pairs with efficient bidirectional electron transfer rates (relatively small intersite distance and favorable free-energy difference). In most other situations, phononic transport is the dominant heat transfer mechanism.

Original languageEnglish
Article number124101
JournalJournal of Chemical Physics
Volume147
Issue number12
DOIs
StatePublished - 28 Sep 2017

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