Local reaction environment in electrocatalysis

C Chen, H **, P Wang, X Sun, M Jaroniec… - Chemical Society …, 2024 - pubs.rsc.org
Beyond conventional electrocatalyst engineering, recent studies have unveiled the
effectiveness of manipulating the local reaction environment in enhancing the performance …

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 …

Nanocurvature-induced field effects enable control over the activity of single-atom electrocatalysts

B Wang, M Wang, Z Fan, C Ma, S **, LY Chang… - Nature …, 2024 - nature.com
Tuning interfacial electric fields provides a powerful means to control electrocatalyst activity.
Importantly, electric fields can modify adsorbate binding energies based on their …

Ion solvation kinetics in bipolar membranes and at electrolyte–metal interfaces

CG Rodellar, JM Gisbert-Gonzalez, F Sarabia… - Nature Energy, 2024 - nature.com
Ion (de) solvation at solid–electrolyte interfaces is pivotal for energy and chemical
conversion technology, such as (electro) catalysis, batteries and bipolar membranes. For …

Effects of electrolyte ionic species on electrocatalytic reactions: advances, challenges, and perspectives

X Lu, W Tu, Y Zhou, Z Zou - Advanced Energy Materials, 2023 - Wiley Online Library
Electrolytes have a profound impact on the chemical environment of electrocatalysis,
influencing the reaction rate and selectivity of products. Experimental and theoretical studies …

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 …

Transition metal incorporation: electrochemical, structure, and chemical composition effects on nickel oxyhydroxide oxygen-evolution electrocatalysts

RA Marquez, E Kalokowski, M Espinosa… - Energy & …, 2024 - pubs.rsc.org
Understanding how electrode materials evolve in energy conversion and storage devices is
critical to optimizing their performance. We report a comprehensive investigation into the …

Modeling Single‐Atom Catalysis

G Di Liberto, G Pacchioni - Advanced Materials, 2023 - Wiley Online Library
Electronic structure calculations represent an essential complement of experiments to
characterize single‐atom catalysts (SACs), consisting of isolated metal atoms stabilized on a …

Linking electric double layer formation to electrocatalytic activity

MA Gebbie, B Liu, W Guo, SR Anderson… - ACS …, 2023 - ACS Publications
Electric double layers form at electrode–electrolyte interfaces and often play defining roles in
governing electrochemical reaction rates and selectivity. While double layer formation has …