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Modulating the electronic state of Cu over Cu/ZnO/SBA-15 catalysts for boosting methanol synthesis from CO2

Kun Jiang, Yunzhao Xu, Fenghai Cao, Baozhen Li, Xiaoyang Xu, Weihao Wang, Yu Tang, Lizhi Wu, Li Tan

2025Green Carbon8 citationsDOIOpen Access PDF

Abstract

Methanol synthesis via CO 2 conversion is a “green carbon” route for mitigating the greenhouse effect and recycling carbon resources. However, despite the widespread use of copper-based systems for methanol synthesis in recent decades, the chemical state of the active copper species remains controversial. In this study, various Cu/ZnO/SBA-15 catalysts possessing different interfacial structures were engineered by atomic layer deposition. The optimized Cu/50c-ZnO/SBA-15 afforded the highest mass-specific methanol formation rate of 211.7 g MeOH ·kg cat -1 ·h -1 under the conditions of 250 °C and 3.0 MPa. In-depth characterizations indicated that the electronic state of copper could be modulated by engineering the interfacial structures of the Cu/ZnO series catalysts, and the copper cation sites (Cu δ+ and Cu + ) are the active centers for methanol synthesis reaction rather than the Cu 0 sites. Mechanistic analysis demonstrated that HCO 3 ⁎ and CO 3 ⁎ were slowly transformed to HCOO⁎ and further hydrogenated to methanol following the formate-methoxy intermediate route. This work provides an improved understanding of the origin of the methanol synthesis active centers and emphasizes the potential for fabricating next-generation Cu-based catalysts via atomic layer deposition.

Topics & Concepts

CopperMethanolBoosting (machine learning)CatalysisCarbon dioxideMaterials scienceInorganic chemistryChemistryOrganic chemistryComputer scienceMachine learningCatalysts for Methane ReformingCatalytic Processes in Materials ScienceCatalysis and Oxidation Reactions