Understanding the operating nanostructure in CO₂ hydrogenation catalysts

Thermocatalytic CO₂ hydrogenation comprises an effective approach towards sustainable production of methanol, a versatile platform chemical and efficient energy vector. Although promoted reducible oxide catalysts have demonstrated industrially-relevant performance, the multicomponent complexity and severe operating conditions renders the determination of the active sites highly challenging. My research aims at elucidating the working nanostructures by integrating in-situ/operando microscopy and spectroscopies, complemented by ex-situ characterizations and computational techniques. Through direct visualization and spectroscopic interrogation of atomic processes under reaction conditions, we establish structure-dynamic-performance relationships for CO₂ hydrogenation catalysts. Ultimately, by bridging the gap between the understanding of equilibrated and operating catalytic architectures, the derived insights will not only advance catalyst design principles for green methanol production, but also be translated into multimetallic systems for more valuable higher alcohol synthesis.