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Research Area
Our research focuses on the atomic-level design of metal-based nanocrystals under electro-oxidation reaction conditions and understanding of catalytic mechanisms for anodic reactions in hydrogen-related electrocatalysis, especially for the oxygen evolution reaction in AEM water electrolysis. It is of significant importance to achieve and illuminate the promotion of rate-limited reaction steps over metal-based electrocatalysts. Challenges and complexities derive from the inherent multi-component aspects of anodic electrocatalysts under electro-oxidation reaction conditions, such as dynamic active sites, ambiguous reaction paths, and diversified interfacial microenvironments, etc. To this end, we are devoted to tackling these issues from material and mechanistic points of views at atomic scale.
Research Directions

1. Oxygen Evolution Reaction for Water Electrolysis (Primary)

Non-noble metal-based electrocatalysts for practical oxygen evolution reaction (OER) usually undergo ambiguous and restricted reaction paths with unsatisfied performance due to the dynamic coordination environments of active sites under reaction conditions. Understanding and further regulating the dynamic coordination environments of metal active sites under electro-oxidation OER conditions is of significant importance to develop highly efficient and stable non-noble metal-based catalysts for practical anion-exchange-membrane water electrolysis. We focus on that issue and keep making progress. Recent papers are listed as follows: 


1. Engineering Co-ion vacancy in dynamically reconstructed Co-based catalysts for practical anion-exchange membrane electrolysis. Nat. Commun. 2026, DOI: 10.1038/s41467-026-69547-1.


2. Localizing the long-range disorder of reconstructed cobalt oxyhydroxides for anion exchange membrane water electrolysis. Angew. Chem. Int. Ed. 2025, 64, e202513592.

3. Atomic-level insight into engineering interfacial hydrogen microenvironments of metal-based catalysts for alkaline hydrogen electrocatalysis. Energy Environ. Sci. 2025, 18, 5811.


4. Retaining the self-released chalcogenate at reconstructed cobalt sites by self-transformed carbonate regulation for boosted oxygen evolution. J. Energy Chem. 2024, 97, 46.

5. Engineering the electrical conductivity of lamellar silver-doped cobalt(II) selenide nanobelts for enhanced oxygen evolution. Angew. Chem. Int. Ed. 2017, 56, 328. 


2. Hydrogen Oxidation Reaction for Fuel Cell

Anion-exchange-membrane fuel cells are highly attractive as an efficient hydrogen conversion device owing to the advantages of employing economic catalysts in alkaline electrolytes. However, the kinetics of the anodic hydrogen oxidation reaction (HOR) over metal-based catalysts becomes relatively sluggish in alkaline electrolytes in comparation with that in acid systems, due to the mismatched interfacial delivery/binding behaviors of reactants during HOR. To this end, we focus on the atomic design of metal-based catalysts with well-tuned delivery/binding behaviors of crucial intermediates for alkaline HOR. Recent papers are listed as follows:


1. Nanotwinning of the nickel nitride nanosheets for robust hydrogen oxidation electrocatalysis. Angew. Chem. Int. Ed. 2026, DOI: 10.1002/anie.202525035.


2. Controlling the valence-electron arrangement of nickel active centers for efficient hydrogen oxidation electrocatalysis. Angew. Chem. Int. Ed. 2022, 61, e202206588.


3. Nitrogen-inserted nickel nanosheets with controlled orbital hybridization and strain fields for boosted hydrogen oxidation in alkaline electrolytes. Energy Environ. Sci. 2022, 15, 1234.

4. Atomic-level insight into reasonable design of metal-based catalysts for hydrogen oxidation in alkaline electrolytes. Energy Environ. Sci. 2021, 14, 2620.


5. Octahedral Pd@Pt1.8Ni core-shell nanocrystals with ultrathin PtNi alloy shells as active catalysts for oxygen reduction reaction. J. Am. Chem. Soc. 2015,137, 2804. 

Prof. Xu Zhao’s Group  |  Email: xuzhao@xjtu.edu.cn
School of Chemical Engineering and Technology, Xi’an Jiaotong University
No.28 Xianning West Road, Xi’an, Shaanxi 710049, P.R. China | Copyright © 2023 Xu Zhao Group