Citation: Yidan Mao, Bingyu Li, Shuailing Ma, Siwen Cui, Zihan Zhang, Pinwen Zhu, Kongsheng Qi, Xiaodong Li, Weiwei Dong, Wei Luo, Rajeev Ahuja, Dexin Yang, Tian Cui. Metal diborides as robust and highly stable electrodes for efficient electrocatalytic reduction of CO₂ to CO in ionic liquid-based electrolytes[J]. Chinese Chemical Letters, ;2026, 37(4): 111675. doi: 10.1016/j.cclet.2025.111675 shu

Metal diborides as robust and highly stable electrodes for efficient electrocatalytic reduction of CO₂ to CO in ionic liquid-based electrolytes

Yidan Mao ^{a, 1} ,
Bingyu Li ^{a, 1} ,
Shuailing Ma ^{b, *,} ,
Siwen Cui ^d ,
Zihan Zhang ^e ,
Pinwen Zhu ^d ,
Kongsheng Qi ^a ,
Xiaodong Li ^c ,
Weiwei Dong ^{c, *,} ,
Wei Luo ^e ,
Rajeev Ahuja ^e ,
Dexin Yang ^{a, *,} ,
Tian Cui ^{b, *,}

a.
College of Chemistry, Zhengzhou University, Zhengzhou 450001, China
b.
Institute of High-Pressure Physics, School of Physical Scientific and Technology, Ningbo University, Ningbo 315211, China
c.
Beijing Synchrotron Radiation Facility (BSRF), Institute of High Energy Physics, Chinese Academy of Sciences, Beijing 100049, China
d.
Synergetic Extreme Condition High-Pressure Science Center, State Key Laboratory of Superhard Materials, College of Physics, Jilin University, Changchun 130012, China
e.
Condensed Matter Theory, Department of Physics and Astronomy, Uppsala University, Uppsala 75120, Sweden

mashuailing@nbu.edu.cn

dongww@ihep.ac.cn

yangdx@zzu.edu.cn

cuitian@nbu.edu.cn

Received Date: 8 March 2025
Revised Date: 30 July 2025
Accepted Date: 5 August 2025
Available Online: 6 August 2025

Figures(4)

The electrocatalytic reduction of carbon dioxide (CO₂) into fuels holds significant promise for addressing energy and environmental challenges, albeit hindered by constraints in conversion efficiency, production rates, and electrode stability. Metal diborides are considered as promising electrocatalysts that may demonstrate superior CO₂ electroreduction performance due to their distinctive electronic properties. Herein, a series of novel bulk metal diborides, encompassing transition metals from group IVB to group VIIB elements, were fabricated using a high pressure-high temperature technique, which were directly utilized as self-supporting electrodes for electrocatalytic reduction of CO₂. The zirconium diboride (ZrB₂) electrode stood out in metal diborides with superior electrocatalytic activity in generating carbon monoxide (CO), achieving a Faradaic efficiency of 92.2% at −2.2 V vs. Ag/Ag⁺ in ionic liquid-based electrolytes. Impressively, the ZrB₂ electrode demonstrated stable catalysis of CO₂ reduction to CO over a nearly 60-h electrolysis period. Furthermore, the ZrB₂ electrode and ionic liquid-based electrolytes could synergistically catalyze the reduction of CO₂ to CO. Experimental results and density functional theory calculations support the notion that exposed metal sites on the ZrB₂ (001) surface could enhance *CO desorption and restrain the hydrogen evolution reaction, thereby facilitating the conversion of CO₂ into CO.
- Metal diborides,
- Electrocatalytic reduction of CO₂,
- Ionic liquids,
- CO,
- Self-supporting electrodes
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沈阳化工大学材料科学与工程学院沈阳 110142

Metal diborides as robust and highly stable electrodes for efficient electrocatalytic reduction of CO2 to CO in ionic liquid-based electrolytes

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通讯作者: 陈斌, bchen63@163.com

Metal diborides as robust and highly stable electrodes for efficient electrocatalytic reduction of CO₂ to CO in ionic liquid-based electrolytes