Evolution and Reconstruction of Air‐Electrode Surface Composition in Reversible Protonic Ceramic Cells: Mechanisms, Impacts on Catalytic Performance, and …
Reversible protonic ceramic cells (R‐PCCs) are at the forefront of electrochemical
conversion devices, capable of reversibly and efficiently converting chemical energy into …
conversion devices, capable of reversibly and efficiently converting chemical energy into …
Expanding the frontiers of electrocatalysis: advanced theoretical methods for water splitting
Electrochemical water splitting, which encompasses the hydrogen evolution reaction (HER)
and the oxygen evolution reaction (OER), offers a promising route for sustainable hydrogen …
and the oxygen evolution reaction (OER), offers a promising route for sustainable hydrogen …
Electrostatic and Electronic Effects on Doped Nickel Oxide Nanofilms for Water Oxidation
An ideal water-splitting electrocatalyst is inexpensive, abundant, highly active, stable,
selective, and durable. The anodic oxygen evolution reaction (OER) is the main bottleneck …
selective, and durable. The anodic oxygen evolution reaction (OER) is the main bottleneck …
Active learning accelerated exploration of single-atom local environments in multimetallic systems for oxygen electrocatalysis
Single-atom catalysts (SACs) with multiple active sites exhibit high activity for a wide range
of sluggish reactions, but identifying optimal multimetallic SAC is challenging due to the vast …
of sluggish reactions, but identifying optimal multimetallic SAC is challenging due to the vast …
From computational screening to the synthesis of a promising OER catalyst
The search for new materials can be laborious and expensive. Given the challenges that
mankind faces today concerning the climate change crisis, the need to accelerate materials …
mankind faces today concerning the climate change crisis, the need to accelerate materials …
A machine learning framework for accelerating the development of highly efficient methanol synthesis catalysts
W Li, Y Dong, M Ran, S Lin, P Liu, H Song, J Yi… - Journal of Energy …, 2025 - Elsevier
Converting CO 2 with green hydrogen to methanol as a carbon-neutral liquid fuel is a
promising route for the long-term storage and distribution of intermittent renewable energy …
promising route for the long-term storage and distribution of intermittent renewable energy …
Synergistic high-entropy phosphides with phosphorus vacancies as robust bifunctional catalysts for efficient water splitting
Q Yuan, T Liu, D Ma, Y Liao, W Wang, H Meng… - Journal of Colloid and …, 2025 - Elsevier
High-entropy phosphides (HEPs) have garnered increasing interest as innovative
electrocatalysts for water splitting, highlighted by their distinctive catalytic activity, elemental …
electrocatalysts for water splitting, highlighted by their distinctive catalytic activity, elemental …
Machine learning in electrocatalysis-living up to the hype?
ÁB Höskuldsson - Current Opinion in Electrochemistry, 2025 - Elsevier
The introduction of machine learning (ML) models in materials science is seen as a
paradigm shift in the field. These models enable the thorough exploration of vast material …
paradigm shift in the field. These models enable the thorough exploration of vast material …
[HTML][HTML] Advanced theoretical modeling methodologies for electrocatalyst design in sustainable energy conversion
Electrochemical reactions are pivotal for energy conversion and storage to achieve a carbon-
neutral and sustainable society, and optimal electrocatalysts are essential for their industrial …
neutral and sustainable society, and optimal electrocatalysts are essential for their industrial …
[HTML][HTML] The essential synergy between experiments and theory in applied surface science
A Juan - Applied Surface Science Advances, 2024 - Elsevier
I want to begin this contribution by briefly relating a personal story to the reader. My basic
training during my PhD was in experimental catalysis, particularly in Ru-Mo bimetallics for …
training during my PhD was in experimental catalysis, particularly in Ru-Mo bimetallics for …