Surface Chemistry of Methanol on Well‐defined Metal Oxide Surfaces

ABSTRACT

Methanol is a pivotal feedstock in the modern chemical industry and is integral to the development of sustainable energy systems. Owing to the coexistence of C─H and C─O bonds and diverse reaction pathways, methanol is extensively employed as a probe molecule to gain insight into the structure and activity of the metal oxide surfaces. Although numerous experimental and theoretical studies have been dedicated to fundamental understanding of methanol‐metal oxide interactions, a clear link between surface atomic structure and the adsorption, dissociation, and reactivity of methanol on metal oxides is still lacking. This review summarizes recent progress in methanol adsorption and reaction mechanisms on well‐defined single‐crystal model oxide surfaces, focusing on selected systems such as iron, vanadium, and titanium oxides. We analyze the roles of surface termination, metal coordination environments, and electronic properties of metal oxide surfaces in governing methanol adsorption, dissociation, and reactivity. Based on atomic‐ and molecular‐level investigations of surface chemistry, we aim to identify the commonalities and disparities among various model oxide systems and to provide an outlook for the rational design of advanced catalysts guided by surface science and catalytic chemistry.