Activating inert non-defect sites in Bi catalysts using tensile strain engineering for highly active CO2 electroreduction

Xingbao Chen, Ruihu Lu, Chengbo Li, Wen Luo (), Ruohan Yu, Jiexin Zhu (), Lei Lv, Yuhang Dai, Shanhe Gong, Yazhou Zhou, Weiwei Xiong, Jiahao Wu, Hongwei Cai, Xinfei Wu, Zhaohui Deng, Boyu Xing, Lin Su, Feiyue Wang, Feiyang Chao, Wei Chen, Chuan Xia, Ziyun Wang () and Liqiang Mai ()
Additional contact information
Xingbao Chen: Wuhan University of Technology
Ruihu Lu: University of Auckland
Chengbo Li: University of Electronic Science and Technology of China
Wen Luo: Wuhan University of Technology
Ruohan Yu: Wuhan University of Technology
Jiexin Zhu: Wuhan University of Technology
Lei Lv: Wuhan University of Technology
Yuhang Dai: Wuhan University of Technology
Shanhe Gong: Jiangsu University
Yazhou Zhou: VŠB─Technical University of Ostrava
Weiwei Xiong: Wuhan University of Technology
Jiahao Wu: Wuhan University of Technology
Hongwei Cai: Wuhan University of Technology
Xinfei Wu: Wuhan University of Technology
Zhaohui Deng: Wuhan University of Technology
Boyu Xing: Wuhan University of Technology
Lin Su: The Southeast University
Feiyue Wang: Wuhan University of Technology
Feiyang Chao: Wuhan University of Technology
Wei Chen: Wuhan University of Technology
Chuan Xia: University of Electronic Science and Technology of China
Ziyun Wang: University of Auckland
Liqiang Mai: Wuhan University of Technology

Nature Communications, 2025, vol. 16, issue 1, 1-13

Abstract: Abstract Bi-defect sites are highly effective for CO2 reduction (CO2RR) to formic acid, yet most catalytic surfaces predominantly feature inert, non-defective Bi sites. To overcome this limitation, herein, tensile strain is introduced on wholescale non-defective Bi sites. Under rapid thermal shock, the Bi-based metal-organic framework (Bi-MOF-TS) shows weakened Bi–O bonds and produced tiny Bi clusters. During electrochemical reduction, these clusters create numerous continuous vacancies, inducing weak tensile strain over a large range of surrounding non-defective Bi sites. This strain enhances *OHCO intermediates adsorption and substantially lowers the reaction barrier. As a result, Bi-MOF-TS achieves a faradaic efficiency above 90% across 800 mV potential range, with an impressive formate partial current density of −995 ± 93 mA cm−2. Notably, Bi-MOF-TS exhibits a high HCOOH faradaic efficiency of 96 ± 0.64% at 400 mA cm−2 in acidic electrolyte and a high single-pass carbon conversion efficiency (SPCE) of 62.0%. Additionally, a Zn-CO2 battery with Bi-MOF-TS as the cathode demonstrates a peak power density of 21.4 mW cm−2 and maintains stability over 300 cycles.

Date: 2025
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DOI: 10.1038/s41467-025-56975-8

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