Frozen or dynamic? — An atomistic simulation perspective on the timescales of electrochemical reactions

Author:

Melander Marko M.ORCID

Funder

Academy of Finland

Publisher

Elsevier BV

Subject

Electrochemistry,General Chemical Engineering

Reference56 articles.

1. Electrocatalytic rate constants from DFT simulations and theoretical models: Learning from each other;Domínguez-Flores;Curr. Opin. Electrochem.,2022

2. Challenges in modeling electrochemical reaction energetics with polarizable continuum models;Gauthier;ACS Catal.,2019

3. Desorption of hydrogen from graphene induced by charge injection;Schmickler;Chem. Electro. Chem.,2022

4. Reconciling the experimental and computational hydrogen evolution activities of pt(111) through DFT-based constrained MD simulations;Kronberg;ACS Catal.,2021

5. Electronic structure calculations on electrolyte–electrode interfaces: Successes and limitations;Jinnouchi;Curr. Opin. Electrochem.,2018

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