Emerging atomistic modeling methods for heterogeneous electrocatalysis

Z Levell, J Le, S Yu, R Wang, S Ethirajan… - Chemical …, 2024 - ACS Publications
Heterogeneous electrocatalysis lies at the center of various technologies that could help
enable a sustainable future. However, its complexity makes it challenging to accurately and …

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 …

Electric double layer effects in electrocatalysis: Insights from ab initio simulation and hierarchical continuum modeling

P Li, Y Jiao, J Huang, S Chen - JACS Au, 2023 - ACS Publications
Structures of the electric double layer (EDL) at electrocatalytic interfaces, which are
modulated by the material properties, the electrolyte characteristics (eg, the pH, the types …

Insights into the pH effect on hydrogen electrocatalysis

WG Cui, F Gao, G Na, X Wang, Z Li, Y Yang… - Chemical Society …, 2024 - pubs.rsc.org
Hydrogen electrocatalytic reactions, including the hydrogen evolution reaction (HER) and
the hydrogen oxidation reaction (HOR), play a crucial role in a wide range of energy …

Cation effects on electrocatalytic reduction processes at the example of the hydrogen evolution reaction

S Ringe - Current Opinion in Electrochemistry, 2023 - Elsevier
Cation effects provide invaluable insights into electrochemistry. In this review, I discuss them
with a main focus on the hydrogen evolution reaction and a summary of recent in situ …

The potential of zero total charge predicts cation effects for the oxygen reduction reaction

JT Bender, RY Sanspeur, AE Valles… - ACS Energy …, 2024 - ACS Publications
Cation effects are frequently observed for electrochemical reactions that take place at
strongly reducing potentials. But a clear understanding of when cation effects will be …

Boosting alkaline hydrogen oxidation kinetics through interfacial environments induced surface migration of adsorbed hydroxyl

Y Men, Y Tan, P Li, Y Jiang, L Li, X Su… - Angewandte …, 2024 - Wiley Online Library
Constructing bifunctional sites through heterojunction engineering to accelerate water
formation has become a pivotal strategy to improve the alkaline hydrogen oxidation reaction …

Scalable Ir-Doped NiFe2O4/TiO2 Heterojunction Anode for Decentralized Saline Wastewater Treatment and H2 Production

S Hong, J Kim, J Park, S Im, MR Hoffmann, K Cho - Nano-Micro Letters, 2025 - Springer
Wastewater electrolysis cells (WECs) for decentralized wastewater treatment/reuse coupled
with H2 production can reduce the carbon footprint associated with transportation of water …

Hydrogen Peroxide Generation and Hydrogen Oxidation Reaction on Pt/Co/Pt (111) and Pt/Co/Pt (100) Single-Crystal Model Catalyst Surface

K Hayashi, T Tomimori, Y Chida, N Todoroki… - ACS …, 2024 - ACS Publications
To mitigate proton-exchange membrane (PEM) degradation, suppressing hydrogen
peroxide (H2O2) generation is desired for the anode catalyst of PEM fuel cells (PEMFCs) …

Iridium-based catalysts for oxygen evolution reaction in proton exchange membrane water electrolysis

J Ge, X Wang, H Tian, H Wan, W Ma, J Qu… - Chinese Chemical Letters, 2024 - Elsevier
Proton exchange membrane water electrolysis (PEMWE) is a favorable technology for
producing high-purity hydrogen under high current density using intermittent renewable …