Outside Back Cover: Universal Catalyst Design Framework for Electrochemical Hydrogen Peroxide Synthesis Facilitated by Local Atomic Environment Descriptors (Angew. Chem. Int. Ed. 9/2026)
Abstract
A universal framework integrating weighted atom-centered symmetry function descriptors (wACSF) with machine learning and microkinetic modeling is developed for rational catalyst design, as reported by Li Wei, Hao Li, Weijie Yang, and co-workers (e518027). The wACSF descriptors unify geometric and chemical characteristics of active sites across different catalyst families, enabling efficient catalyst discovery across diverse materials and reactions.
Fields of Study & Subjects
Machine Learning in Materials Science
Electrocatalysts for Energy Conversion
Catalytic Processes in Materials Science
Publication details
- Journal / source
- Angewandte Chemie International Edition
- Volume
- 65
- Issue
- 9
- Publication date
- 10 February 2026
- Language
- EN