Rational design of single-atom catalysts stabilized within the interlayer of covalent organic frameworks for the oxygen evolution reaction

Journal of Materials Chemistry A 2026

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Authors: Ran Duan, Lei Sun, Xin Wei, Mengqian Xu, Yu Wei Pan, Lei Xiao, Yun Jie Lang, Wei Deng, Li Yang
DOI: 10.1039/d5ta10554d
Cited by: 3
References: 46

Abstract

DFT simulations and machine learning algorithms are applied to screen single-atom catalysts intercalated within COFs for the electrocatalytic oxygen evolution reaction, revealing the key descriptors of stability and catalytic activity.

Fields of Study & Subjects

Electrocatalysts for Energy Conversion Covalent Organic Framework Applications CO2 Reduction Techniques and Catalysts

Publication details

Journal / source
Journal of Materials Chemistry A
Publisher
Royal Society of Chemistry (RSC)
Volume
14
Issue
28
Pages
18199–18207
Publication date
1 January 2026
Language
EN