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中文简介

Research Area
Our research focuses on the atomic-level design of metal-based nanocrystals and understanding of catalytic mechanisms for hydrogen-related electrocatalysis, including hydrogen oxidation in fuel cells, hydrogen generation in water electrolysis, and selective transformation of small molecules with water into value-added chemicals. 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, 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. Hydrogen Oxidation Reaction for Fuel Cell

Anion exchange membrane fuel cells are highly attractive as an efficient energy 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 binding behaviors of reactants during HOR. To this end, we focus on the atomic design of metal-based catalysts with well-tuned 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: doi.org/10.1002/anie.202525035.


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


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


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

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

6. 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.


2. Oxygen Evolution Reaction for Water Electrolysis

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. Understanding and further regulating the coordination environments of metal active sites under catalytic OER condition is of significant importance to develop highly efficient and stable non-noble metal-based catalysts for practical 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. Isolated Pd atom anchoring endows cobalt diselenides with regulated water-reduction kinetics for alkaline hydrogen evolution. Appl. Catal. B: Environ. 2021, 295, 120280.


4. Electrical and structural engineering of cobalt selenide nanosheets by Mn modulation for efficient oxygen evolution. Appl. Catal. B: Environ. 2018, 236, 569.

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


3. Value-Added Conversion of Small Molecules

Selective transformation of small molecules with water into value-added chemicals is highly desired but still limited. Currently we also pay attention to fabricate high-performance electrocatalysts for such reactions, especially in MEA devices. Some interesting findings will be presented in near future. 
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