Authors
Zhenjie Cheng, Yitao Wang, Wei Chen, Zhengjie Yao, Puyou Ying, Lijia Liu, Chenglong Qiu, Jiacheng Wang
Published in
Angewandte Chemie (International ed. in English). Pages e2810076. Sep 07, 2026. Epub Sep 07, 2026.
Abstract
The electrochemical CO2 reduction is crucial for achieving carbon neutrality, wherein the catalytic performance is governed not only by the intrinsic catalytic activity but also by the microenvironment of the triple-phase interface. In this study, a self-assembled molecular (SAM) of trimethoxy(3,3,3-trifluoropropyl)silane (TFTPS) is constructed on a traditional Bi-based electrocatalyst to enhance its catalytic efficiency. The modified catalyst delivers a high current density of 800 mA cm-2 and maintains a formate Faradaic efficiency of up to 95% across a wide pH range. Notably, it also exhibits an excellent long-term durability of 250 h in a membrane electrode assembly system. Density functional theory calculations and classical molecular dynamics simulations reveal that this hydrophobic SAM possesses three key functions: (i) it maintains interfacial hydrophobicity to reduce H+ activity and prevent electrode flooding; (ii) it stabilizes a relatively higher oxidation state on the catalyst surface, thereby enhancing *OCHO adsorption; and (iii) it facilitates CO2 mass transfer and local enrichment. These findings are further supported by in situ x-ray diffraction and spectroscopic measurements. Overall, this study proposes a molecular self-assembly strategy for optimizing tri-phase interfaces in electrocatalysis, which could drive advances in energy conversion technologies.
PMID:
42704247
Bibliographic data and abstract were imported from PubMed on 07 Sep 2026.
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