We study a moving adsorbate interacting with a metal electrode immersed in a solvent using the time-dependent Newns–Anderson–Schmickler model Hamiltonian. We have adopted a semiclassical trajectory treatment of the adsorbate to discuss the electron and energy transfers that occur between the adsorbate and the electrode. Using Keldysh Green’s function scheme, we found a non-adiabatically suppressed electron transfer caused by the motion of the adsorbate and coupling with bath phonons that model the solvent. The energy is thus dissipated into electron–hole pair excitations, which are hindered by interacting with the solvent modes and facilitated by the applied electrode potential. The average energy transfer rate is discussed in terms of the electron friction coefficient and given an analytical expression in the slow-motion limit.
Skip Nav Destination
,
Article navigation
14 April 2024
Research Article|
April 09 2024
Time-dependent electron transfer and energy dissipation in condensed media Available to Purchase
Elvis F. Arguelles
;
Elvis F. Arguelles
a)
(Conceptualization, Formal analysis, Investigation, Methodology, Validation, Visualization, Writing – original draft, Writing – review & editing)
Institute for Solid State Physics, The University of Tokyo
, 5-1-5, Kashiwanoha, Kashiwa, Chiba 277-8581, Japan
a)Author to whom correspondence should be addressed: [email protected]
Search for other works by this author on:
Osamu Sugino
Osamu Sugino
b)
(Conceptualization, Formal analysis, Funding acquisition, Investigation, Methodology, Project administration, Resources, Supervision, Validation, Visualization, Writing – original draft, Writing – review & editing)
Institute for Solid State Physics, The University of Tokyo
, 5-1-5, Kashiwanoha, Kashiwa, Chiba 277-8581, Japan
Search for other works by this author on:
Elvis F. Arguelles
a)
Osamu Sugino
b)
Institute for Solid State Physics, The University of Tokyo
, 5-1-5, Kashiwanoha, Kashiwa, Chiba 277-8581, Japan
a)Author to whom correspondence should be addressed: [email protected]
J. Chem. Phys. 160, 144102 (2024)
Article history
Received:
January 05 2024
Accepted:
March 19 2024
Citation
Elvis F. Arguelles, Osamu Sugino; Time-dependent electron transfer and energy dissipation in condensed media. J. Chem. Phys. 14 April 2024; 160 (14): 144102. https://doi.org/10.1063/5.0196143
Download citation file:
Pay-Per-View Access
$40.00
Sign In
You could not be signed in. Please check your credentials and make sure you have an active account and try again.
565
Views
Citing articles via
The Amsterdam Modeling Suite
Evert Jan Baerends, Nestor F. Aguirre, et al.
DeePMD-kit v2: A software package for deep potential models
Jinzhe Zeng, Duo Zhang, et al.
CREST—A program for the exploration of low-energy molecular chemical space
Philipp Pracht, Stefan Grimme, et al.
Related Content
Mixed quantum-classical treatment of electron transfer at electrocatalytic interfaces: Theoretical framework and conceptual analysis
J. Chem. Phys. (October 2020)
Relating Franck-Condon blockade to redox chemistry in the single-particle picture
J. Chem. Phys. (September 2018)
Coupled ion–interface dynamics and ion transfer across the interface of two immiscible liquids
J. Chem. Phys. (October 2002)
Theoretical background of electron tunneling in electrochemical double layer
AIP Advances (July 2023)
Physics applied to electrochemistry: Tunneling reactions
J. Appl. Phys. (March 2021)