Mini Review on Revisiting Marcus Theory and Novel Understanding Heterogeneous Electron Transfer by Programing Tools
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DOI: 10.1002/elan.12045
Abstract: Electron transfer is always the spotlight in electrochemistry, especially electrochemical energy storage. However, the current understanding of electron transfer, particularly in heterogeneous systems as explained by Marcus theory, faces challenges in accurately accounting for surface… read more here.
Keywords: electron transfer; transfer; marcus theory;
All-Atom Photoinduced Charge Transfer Dynamics in Condensed Phase via Multistate Nonlinear-Response Instantaneous Marcus Theory
Sign Up to like & getrecommendations! Published in 2024 at "Journal of Chemical Theory and Computation"
DOI: 10.1021/acs.jctc.4c00010
Abstract: Photoinduced charge transfer (CT) in the condensed phase is an essential component in solar energy conversion, but it is challenging to simulate such a process on the all-atom level. The traditional Marcus theory has been… read more here.
Keywords: nonlinear response; transfer; theory; marcus theory ... See more keywords