How Do Electrochemical Reactions Work At The Quantum Level?

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Electrochemical processes play a central role for sustainable energy conversion and storage technologies, such as water splitting, hydrogen fuel cells and batteries. In order to maximize the efficiency, stability and life expectancy of these devices, it is necessary to develop accurate simulation techniques to explore and predict structural properties and chemical reactions at electrified surfaces in contact with liquid electrolytes. In this video, STEFAN WIPPERMANN puts forward ideas on how to simulate electrochemical processes with controlled electrode potential from first principles, i.e. solving the respective fundamental physical equations on high performance computers. The present work reveals the response of liquid water to an electric field at electrode/electrolyte interfaces under potential control. These developments open the door towards predicting and understanding the precise mechanistic details and dynamics of electrochemical processes at the quantum level.

DOI:

https://doi.org/10.21036/LTPUB10942

Tags:

Electrochemical Reactions

Researcher

Stefan Wippermann is Group Leader of the Atomistic Modeling Group in the Department of Interface Chemistry and Surface Engineering at the Max-Planck-Institut für Eisenforschung in Düsseldorf. A BMBF “NanoMatFutur" group leader in the same Department, Wippermann is also the Scientific Coordinator of the International Max-Planck Research School on Interface-controlled Materials for Energy Conversion. Having completed his PhD at Paderborn University, Wippermann has also worked at the University of California, Davis and Tsinghua University, Beijing. Wippermann’s main research interests include light absorbers for next generation photovoltaics, electrochemical solid-liquid interfaces and 1D electronic systems.

Institution

Max-Planck-Institut für Eisenforschung

Novel alloys for automotive lightweight design and airplane turbines, materials for sustainable energy conversion and storage, and the development of big data and machine learning methods – these are just a few examples of the research areas that are being investigated by the scientists of the Max-Planck-Institut für Eisenforschung. The team of engineers, material scientists, physicists, and chemists develops tailored materials and methods for mobility, energy, infrastructure, and information. To this end, the researchers study complex materials with atomic precision under real environmental conditions.

Original publication

Dielectric Properties of Nanoconfined Water: A Canonical Thermopotentiostat Approach

Deißenbeck Florian, Freysoldt Christoph, Todorova Mira, Neugebauer Joerg and Wippermann Stefan

Physical Review Letters

Published in 2021

Reading recommendations

Anomalously Low Dielectric Constant of Confined Water

others, Fumagalli Laura, Esfandiar Ali, Fabregas Rene, Hu Sheng, Ares Pablo, Janardanan Amritha, Yang Qian, Radha Boya, Taniguchi Takashi and Watanabe K.

Science

Published in 2018

Toward an Atomic-Scale Understanding of Electrochemical Interface Structure and Dynamics

Magnussen Olaf M. and Groß Axel

Journal of the American Chemical Society

Published in 2019

Beyond

A Ground-breaking Scientific Revolution

An Alarming Challenge for Society

If I Had a Second Life

A Personal Reading Recommendation

Citation

Stefan Wippermann, Latest Thinking, How Do Electrochemical Reactions Work At The Quantum Level?, https://doi.org/10.21036/LTPUB10942, 2021

Credits:

© Stefan Wippermann and Latest Thinking
This work is licensed under CC-BY 4.0

Funding agency:

Open access funding provided by Max Planck Society