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

Nature Communications [2025]
Chen Xingbao, Lu Ruihu, Li Chengbo, Luo Wen, Yu Ruohan, Zhu Jiexin, Lv Lei, Dai Yuhang, Gong Shanhe, Zhou Yazhou, Xiong Weiwei, Wu Jiahao, Cai Hongwei, Wu Xinfei, Deng Zhaohui, Xing Boyu, Su Lin, Wang Feiyue, Chao Feiyang, Chen Wei, Xia Chuan, Wang Ziyun, Mai Liqiang
ABSTRACT

Bi-defect sites are highly effective for CO 2 reduction (CO 2 RR) 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-CO 2 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.

MATERIALS

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