Efficient trifunctional electrocatalysts with iron single atoms electronically coupled with adjacent ruthenium nanoclusters for zinc-air battery-powered water splitting

Xinjie Zhang; Yang Liu; Haizhong Dai; Dahai Xu; Yang Chen; Dingjie Pan; Ting He; Yi Zhang; Shaowei Chen; Xiaoping Ouyang

doi:10.1016/j.apcatb.2025.125127

Efficient trifunctional electrocatalysts with iron single atoms electronically coupled with adjacent ruthenium nanoclusters for zinc-air battery-powered water splitting

Xinjie Zhang
, Yang Liu
, Haizhong Dai
, Dahai Xu
, Yang Chen
, Dingjie Pan
, Ting He
, Yi Zhang
, Shaowei Chen
, Xiaoping Ouyang

XiangTan University
Central South University
Hengyang Normal University
University of California at Santa Cruz

Research output: Contribution to journal › Article › peer-review

17 Scopus citations

Abstract

Design and engineering of high-performance electrocatalysts is of significance for the development of integrated electrochemical energy technologies. Herein, N-doped carbon aerogels doped with Fe single atoms and adjacent Ru nanoclusters are prepared by two-step pyrolysis of a biomass hydrogel precursor. The obtained NCA/FeRu composites show an exceptional trifunctional activity towards the oxygen reduction reaction (ORR, half-wave potential +0.92 V), oxygen evolution reaction (OER, +275 mV overpotential at 10 mA cm⁻²) and hydrogel evolution reaction (HER, −7 mV overpotential at 10 mA cm⁻²), markedly better than those of relevant catalysts reported in the literature. First-principles calculations show that the Ru nanoclusters facilitate the *OH desorption for ORR and the formation of O−O bonds for OER on the FeN₄ sites, and the Ru clusters are primarily responsible for the high HER activity. Such a unique property can be exploited for the development of an integrated device for zinc-air battery-powered water splitting.

Original language	English
Article number	125127
Journal	Applied Catalysis B: Environmental
Volume	368
DOIs	https://doi.org/10.1016/j.apcatb.2025.125127
State	Published - 5 Jul 2025
Externally published	Yes

UN SDGs

This output contributes to the following UN Sustainable Development Goals (SDGs)

SDG 7 Affordable and Clean Energy

Keywords

Fe single atom
Ru nanocluster
Trifunctional electrocatalyst
Water splitting
Zinc-air battery

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10.1016/j.apcatb.2025.125127

Cite this

Zhang, X., Liu, Y., Dai, H., Xu, D., Chen, Y., Pan, D., He, T., Zhang, Y., Chen, S., & Ouyang, X. (2025). Efficient trifunctional electrocatalysts with iron single atoms electronically coupled with adjacent ruthenium nanoclusters for zinc-air battery-powered water splitting. Applied Catalysis B: Environmental, 368, Article 125127. https://doi.org/10.1016/j.apcatb.2025.125127

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title = "Efficient trifunctional electrocatalysts with iron single atoms electronically coupled with adjacent ruthenium nanoclusters for zinc-air battery-powered water splitting",

abstract = "Design and engineering of high-performance electrocatalysts is of significance for the development of integrated electrochemical energy technologies. Herein, N-doped carbon aerogels doped with Fe single atoms and adjacent Ru nanoclusters are prepared by two-step pyrolysis of a biomass hydrogel precursor. The obtained NCA/FeRu composites show an exceptional trifunctional activity towards the oxygen reduction reaction (ORR, half-wave potential +0.92 V), oxygen evolution reaction (OER, +275 mV overpotential at 10 mA cm−2) and hydrogel evolution reaction (HER, −7 mV overpotential at 10 mA cm−2), markedly better than those of relevant catalysts reported in the literature. First-principles calculations show that the Ru nanoclusters facilitate the *OH desorption for ORR and the formation of O−O bonds for OER on the FeN4 sites, and the Ru clusters are primarily responsible for the high HER activity. Such a unique property can be exploited for the development of an integrated device for zinc-air battery-powered water splitting.",

keywords = "Fe single atom, Ru nanocluster, Trifunctional electrocatalyst, Water splitting, Zinc-air battery",

author = "Xinjie Zhang and Yang Liu and Haizhong Dai and Dahai Xu and Yang Chen and Dingjie Pan and Ting He and Yi Zhang and Shaowei Chen and Xiaoping Ouyang",

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T1 - Efficient trifunctional electrocatalysts with iron single atoms electronically coupled with adjacent ruthenium nanoclusters for zinc-air battery-powered water splitting

AU - Zhang, Xinjie

AU - Liu, Yang

AU - Dai, Haizhong

AU - Xu, Dahai

AU - Chen, Yang

AU - Pan, Dingjie

AU - He, Ting

AU - Zhang, Yi

AU - Chen, Shaowei

AU - Ouyang, Xiaoping

PY - 2025/7/5

Y1 - 2025/7/5

N2 - Design and engineering of high-performance electrocatalysts is of significance for the development of integrated electrochemical energy technologies. Herein, N-doped carbon aerogels doped with Fe single atoms and adjacent Ru nanoclusters are prepared by two-step pyrolysis of a biomass hydrogel precursor. The obtained NCA/FeRu composites show an exceptional trifunctional activity towards the oxygen reduction reaction (ORR, half-wave potential +0.92 V), oxygen evolution reaction (OER, +275 mV overpotential at 10 mA cm−2) and hydrogel evolution reaction (HER, −7 mV overpotential at 10 mA cm−2), markedly better than those of relevant catalysts reported in the literature. First-principles calculations show that the Ru nanoclusters facilitate the *OH desorption for ORR and the formation of O−O bonds for OER on the FeN4 sites, and the Ru clusters are primarily responsible for the high HER activity. Such a unique property can be exploited for the development of an integrated device for zinc-air battery-powered water splitting.

AB - Design and engineering of high-performance electrocatalysts is of significance for the development of integrated electrochemical energy technologies. Herein, N-doped carbon aerogels doped with Fe single atoms and adjacent Ru nanoclusters are prepared by two-step pyrolysis of a biomass hydrogel precursor. The obtained NCA/FeRu composites show an exceptional trifunctional activity towards the oxygen reduction reaction (ORR, half-wave potential +0.92 V), oxygen evolution reaction (OER, +275 mV overpotential at 10 mA cm−2) and hydrogel evolution reaction (HER, −7 mV overpotential at 10 mA cm−2), markedly better than those of relevant catalysts reported in the literature. First-principles calculations show that the Ru nanoclusters facilitate the *OH desorption for ORR and the formation of O−O bonds for OER on the FeN4 sites, and the Ru clusters are primarily responsible for the high HER activity. Such a unique property can be exploited for the development of an integrated device for zinc-air battery-powered water splitting.

KW - Fe single atom

KW - Ru nanocluster

KW - Trifunctional electrocatalyst

KW - Water splitting

KW - Zinc-air battery

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DO - 10.1016/j.apcatb.2025.125127

M3 - 文章

AN - SCOPUS:85216923773

SN - 0926-3373

VL - 368

JO - Applied Catalysis B: Environmental

JF - Applied Catalysis B: Environmental

M1 - 125127

ER -

Efficient trifunctional electrocatalysts with iron single atoms electronically coupled with adjacent ruthenium nanoclusters for zinc-air battery-powered water splitting

Abstract

UN SDGs

Keywords

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