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Updated: Aug 5, 2026
07:12
Synthesis and Evaluation of a Ruthenium-based Mitochondrial Calcium Uptake Inhibitor
Published on: October 26, 2017
Stabilizing RuO2 against over-oxidation: how Ni dopants kinetically inhibit Ru dissolution via mild oxidation state
Xinxin Zhang1, Yunlong Ding1, Wenwen Liu1
1State Key Laboratory of Solidification Processing, School of Materials Science and Engineering, Northwestern Polytechnical University, Xi'an, Shaanxi Province 710072, P. R. China. zhiyao.duan@nwpu.edu.cn.
Physical Chemistry Chemical Physics : PCCP
|July 31, 2026
Summary
Nickel doping stabilizes ruthenium dioxide (RuO2) electrocatalysts for the oxygen evolution reaction (OER). This doping enhances RuO2 stability by preventing surface reconstruction and over-oxidation, improving catalyst performance.
Area of Science:
- Electrochemistry
- Materials Science
- Computational Chemistry
Background:
- Ruthenium dioxide (RuO2) is a key electrocatalyst for oxygen evolution reaction (OER) in acidic media.
- Instability due to surface reconstruction and RuO4 formation limits RuO2 application.
- Understanding degradation mechanisms is crucial for catalyst improvement.
Purpose of the Study:
- Investigate Ni doping effects on RuO2 stability under OER conditions.
- Elucidate atomic-scale mechanisms of Ni-induced stabilization.
- Provide theoretical insights for designing stable OER electrocatalysts.
Main Methods:
- Constant-potential density functional theory (CP-DFT) calculations.
- Systematic investigation of Ni doping configurations (subsurface).
- Analysis of surface reconstruction barriers and electronic structure.
Main Results:
- Subsurface Ni doping significantly increases the energy barrier for Ru surface reconstruction.
- Dissolution of surface Ni atoms creates vacancies that further inhibit reconstruction.
- Ni doping leads to increased oxidation state of surface Ru, reducing RuO4 formation propensity.
Conclusions:
- Ni doping enhances RuO2 stability by preserving the active surface structure and preventing dissolution.
- Theoretical findings align with experimental observations of improved Ni-doped RuO2 stability.
- Atomic-scale insights demonstrate how dopants mitigate Ru degradation via controlled oxidation.
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