【Frontiers in HaiChuan Chemical Technology】Progress achieved in research on carbon dioxide hydrogenation catalysts at Lanzhou Institute of Chemical Physics

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Progress has been made in the research of carbon dioxide hydrogenation catalysts. The process of converting carbon dioxide (CO2) into high-value chemicals such as methanol and dimethyl ether faces a major bottleneck in the form of extremely low activation efficiency of hydrogen molecules on oxide catalysts, which constitutes a key technical challenge limiting the reaction rate. Recently, the Lanzhou Institute of Chemical Physics of the Chinese Academy of Sciences and other institutions have made significant breakthroughs in the field of CO2 hydrogenation catalysis. The team first proposed the concept of \"phase-limited surface enrichment,\" revealing the precise mechanism by which the crystal phase of the support controls the spatial distribution of active sites, and providing a new paradigm for the rational design of high-performance catalysts. Using GaOx/ZrO2 as a model catalyst, the team discovered through systematic studies that precise control of the crystal phase of the ZrO2 carrier regulates the distribution of active species in GaOx. The study revealed that the incorporation of Ga atoms into the bulk phase of t-ZrO2 requires overcoming an energy barrier of 4.56 eV, thereby providing an essential explanation for why t-ZrO2 can \"trap\" active species on its surface. The formation energy of oxygen vacancies on t-ZrO2 is lower, allowing it to more easily form highly active Ga–OV–Zr interfacial sites in conjunction with Ga. The team found that formate could be efficiently stabilized and rapidly converted on the surface of the GTZ-10 catalyst (Ga2O3/t-ZrO2), whereas a \"accumulation\" of formate occurred on the surface of GMZ-10, resulting in a slow conversion rate. Further DFT calculations confirmed that the initial step barrier for the formate pathway is more than 100 kJ・mol−1 lower than that of the carboxylate pathway, indicating a significant thermodynamic advantage. The relevant research findings were published in ACS Catalysis. The research was supported by the **National Natural Science Foundation, Gansu Provincial Natural Science Foundation, and other sources.