Electrotunable Kapitza resistance at electrode-water interfaces: the importance of electrode metallicity
Author(s)
Chapman, Aidan
Bresme, Fernando
Type
Journal Article
Abstract
The electrolyte-water-metal interface plays a vital role in electrochemical processes within nanocapacitors and in thermal management in nanoscale devices. Understanding the microscopic origins of thermal transport at these nanomaterial-fluid interfaces is crucial for advancing technologies in areas such as electrochemical energy storage and thermoplasmonics. Here, we use constant potential molecular dynamics simulations with fully dynamic electrodes to create steady heat fluxes in confined solutions that can respond to changes in the interfacial electrostatic environment at constant voltages. Our findings reveal that the Kapitza Resistance (KR) can be adjusted by applying voltage, altering ionic strength through the addition of salt, and, importantly, varying the metallicity of the electrodes. We show that the KR decreases with increasing electrode polarization, and salt concentrations above one molal further improve this voltage response, particularly with high effective metallicity (highly polarizable) electrodes. We attribute this response to a synergistic effect induced by the presence of the ions next to the electrodes and the reorientation of a nanometer-thick layer of water that solvates the electrodes. We present in our work a large-scale, nonequilibrium analysis that provides predictions of conditions necessary to tune the KR by considering experimentally relevant factors, including electrode metallicity, capacitance, and bias voltage.
Date Issued
2026-05-21
Date Acceptance
2026-04-28
Citation
The Journal of Physical Chemistry C, 2026, 130 (20), pp.7086-7099
ISSN
1932-7447
Publisher
American Chemical Society (ACS)
Start Page
7086
End Page
7099
Journal / Book Title
The Journal of Physical Chemistry C
Volume
130
Issue
20
Copyright Statement
© 2026 The Authors. Published by American Chemical Society. This publication is licensed under CC-BY 4.0 .
License URL
Identifier
https://www.ncbi.nlm.nih.gov/pubmed/42199449
Publication Status
Published
Coverage Spatial
United States
Date Publish Online
2026-05-07