Effects of applied voltage on water at a gold electrode interface from ab initio molecular dynamics

Goldsmith, Zachary K.; Calegari Andrade, Marcos F.; Selloni, Annabella

doi:10.1039/D1SC00354B

Effects of applied voltage on water at a gold electrode interface from ab initio molecular dynamics

Journal Article · Wed Apr 28 00:00:00 EDT 2021 · Chemical Science

DOI:https://doi.org/10.1039/D1SC00354B· OSTI ID:1772519

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Department of Chemistry, Princeton University, Princeton, USA

Ab initio molecular dynamics of an aqueous electrode interface reveal the electrostatic, structural, and dynamic effects of quantifiable voltage biases on water.

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Research Organization:: Princeton Univ., NJ (United States); Princeton University, NJ (United States)

Sponsoring Organization:: USDOE; USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences & Biosciences Division

Grant/Contract Number:: SC0019394

OSTI ID:: 1772519

Alternate ID(s):: OSTI ID: 1774032
OSTI ID: 1999120

Journal Information:: Chemical Science, Journal Name: Chemical Science Journal Issue: 16 Vol. 12; ISSN 2041-6520; ISSN CSHCBM

Publisher:: Royal Society of Chemistry (RSC)Copyright Statement

Country of Publication:: United Kingdom

Language:: English

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Effects of applied voltage on water at a gold electrode interface from ab initio molecular dynamics

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