Nuclear quantum effects at aqueous metal interfaces captured by molecular dynamics simulations

Author:

Lan JinggangORCID,Iannuzzi Marcella

Funder

Schweizerischer Nationalfonds zur Förderung der Wissenschaftlichen Forschung

Universität Zürich

Publisher

Elsevier BV

Subject

Electrochemistry,Analytical Chemistry

Reference39 articles.

1. First-principles simulations of an aqueous CO/Pt (111) interface;Lan;J Phys Chem C,2018

2. Ionization of water as an effect of quantum delocalization at aqueous electrode interfaces;Lan;J Phys Chem Lett,2020

3. Determining potentials of zero charge of metal electrodes versus the standard hydrogen electrode from density-functional-theory-based molecular dynamics;Le Jiabo;Phys Rev Lett,2017

4. Quantum-to-Classical transition of proton transfer in potential-induced dioxygen reduction;Sakaushi;Phys Rev Lett,2018

5. Quantum proton tunneling in multi-electron/-proton transfer electrode processes;Sakaushi;Faraday Discuss,2019

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