Ab initio simulations of water/metal interfaces

A Groß, S Sakong - Chemical reviews, 2022 - ACS Publications
Structures and processes at water/metal interfaces play an important technological role in
electrochemical energy conversion and storage, photoconversion, sensors, and corrosion …

How to assess and predict electrical double layer properties. implications for electrocatalysis

CM Schott, PM Schneider, KT Song, H Yu… - Chemical …, 2024 - ACS Publications
The electrical double layer (EDL) plays a central role in electrochemical energy systems,
impacting charge transfer mechanisms and reaction rates. The fundamental importance of …

Toward an atomic-scale understanding of electrochemical interface structure and dynamics

OM Magnussen, A Groß - Journal of the American Chemical …, 2019 - ACS Publications
For the knowledged-based development of electrochemical processes, a better fundamental
understanding of the interfaces between electrodes and electrolytes is necessary. This …

Relationships between atomic level surface structure and stability/activity of platinum surface atoms in aqueous environments

PP Lopes, D Strmcnik, D Tripkovic, JG Connell… - Acs …, 2016 - ACS Publications
The development of alternative energy systems for the clean production, storage, and
conversion of energy is strongly dependent on our ability to understand, at atomic molecular …

Modelling the electric double layer at electrode/electrolyte interfaces

A Groß, S Sakong - Current Opinion in Electrochemistry, 2019 - Elsevier
The description of electrode–electrolyte interfaces is based on the notion of the formation of
an electric double layer (EDL). Most of the concepts underlying its structure and properties …

[LIVRE][B] Electroanalytical Chemistry: A Series of Advances: Volume 23

AJ Bard, CG Zoski - 2010 - taylorfrancis.com
Electroanalytical chemists and others are concerned not only with the application of new
and classical techniques to analytical problems, but also with the fundamental theoretical …

Thirty years of platinum single crystal electrochemistry

V Climent, JM Feliu - Journal of Solid State Electrochemistry, 2011 - Springer
The electrochemistry of platinum single crystals is historically reviewed. After a brief revision
of historical results dating before the publication of the landmark experiment by J. Clavilier of …

Electrochemical determination of activation energies for methanol oxidation on polycrystalline platinum in acidic and alkaline electrolytes

JL Cohen, DJ Volpe, HD Abruna - Physical Chemistry Chemical …, 2007 - pubs.rsc.org
The oxidation pathways of methanol (MeOH) have been the subject of intense research due
to its possible application as a liquid fuel in polyelectrolyte membrane (PEM) fuel cells. The …

[HTML][HTML] Effect of trace impurities in perchloric acid on blank voltammetry of Pt (111)

N Fröhlich, J Fernández-Vidal, FV Mascaró, AJ Shih… - Electrochimica …, 2023 - Elsevier
Trace impurities of nitrate and sulphate species have been detected as the cause for the
charge quench of existing voltammetric peaks and the appearance of new voltammetric …

Grand-canonical approaches to understand structures and processes at electrochemical interfaces from an atomistic perspective

A Groß - Current Opinion in Electrochemistry, 2021 - Elsevier
Electrochemical interfaces between an electrode and an electrolyte are often covered by
ions from the solution. These adsorbed ions can strongly modify the properties of the …