
Ru Single Atoms Anchored on Oxygen‐Vacancy‐Rich ZrO 2‐x /C for Synergistically Enhanced Hydrogen Oxidation
Author(s) -
Zhang Xiaojuan,
Wang Chunchang,
Cao Wenjun,
Zhu Qingqing,
Cheng Chao,
Zheng Jun,
Zhang Haijuan,
Guo Youming,
Huang Shouguo,
Yu Yi,
Ge Binghui,
Song Dongsheng,
Fan Yameng,
Cheng Zhenxiang
Publication year - 2025
Publication title -
advanced science
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.388
H-Index - 100
ISSN - 2198-3844
DOI - 10.1002/advs.202413569
Subject(s) - catalysis , nanoparticle , atom (system on chip) , hydrogen , transition metal , vacancy defect , chemistry , density functional theory , metal , inorganic chemistry , materials science , nanotechnology , chemical engineering , crystallography , computational chemistry , organic chemistry , engineering , computer science , embedded system
Abstract The hydrogen oxidation reaction (HOR) in alkaline media is pivotal for the advancement of anion exchange membrane fuel cells (AEMFCs), and the development of single‐atom catalysts offers a promising solution for creating cost‐effective, highly efficient HOR catalysts. Although the transition from nanoparticle to single‐atom catalysts enhances catalytic activity, the stability of these single‐atom sites remains a significant challenge. In this study, a highly active and stable alkaline HOR catalyst is successfully designed by incorporating Ru atoms into ZrO 2‐x /C nanoparticles, forming the single atoms catalyst Ru‐SA‐ZrO 2‐x /C. The catalyst exhibits an outstanding mass activity of 6789.4 mA mg Ru −1 at 50 mV, surpassing the Ru/C catalyst by 67 fold and the commercial Pt/C catalyst by 42.5 fold. Density functional theory (DFT) simulations reveal that the integration of Ru atoms into ZrO 2‐x /C optimizes both the hydrogen bonding energy (HBE) and hydroxyl binding energy (OHBE), reducing the toxicity of Ru sites. This research opens a new pathway for the precise design of single‐atom and metal nanoparticle hybrids, offering a promising direction for developing highly active electrocatalysts for alkaline HOR applications.
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