ZrO 2 -induced d–d spatial coordination effects of Ru single-atom catalysts to boost the oxygen evolution reaction

Chemical Science 2026 Open access

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Authors: Dandan Yu, Bin Liu, Dong-Ming Li, Junkai Yu, Xijie Lan, Shuhong Liu, Zhuxin Li, Pengyun Gao, Yong Zhang, Hong Zhao
DOI: 10.1039/d6sc01575a
Cited by: 2
References: 52

Abstract

. Density functional theory (DFT) calculations elucidated that the d-band center of Ru atoms was lowered by d-d spatial coordination effects, which weakened the strong adsorption of oxygen at Ru sites, eventually reducing the activation barrier of the OER rate-determining step. This work paves a new avenue to design high-efficiency and stable catalysts for hydrogen production.

Fields of Study & Subjects

Electrocatalysts for Energy Conversion Hybrid Renewable Energy Systems Ammonia Synthesis and Nitrogen Reduction

Publication details

Journal / source
Chemical Science
Publisher
Royal Society of Chemistry (RSC)
Volume
17
Issue
20
Pages
10168–10176
Publication date
1 January 2026
Language
EN