CO₂ Adsorption on H₂O‐Saturated BaO(1 0 0) and Induced Barium Surface Dissociation

Abstract

CO 2 adsorption on a barium oxide (BaO) surface saturated with a monolayer of H 2 O molecules was studied; a monolayer of H 2 O molecules on the BaO surface exhibits nondissociative or dissociative adsorption. During the nondissociative reaction, a hydroxyl ion-terminated surface is produced, resulting in the formation of barium hydroxide (Ba(OH) 2 ) on the surface. The Ba(OH) 2 from the substrate associates with the tightly bound CO 2 molecule, resulting in the formation of barium carbonate (BaCO 3 ). In contrast, during the dissociative H 2 O adsorption, a hydrogen-terminated surface is produced, which strongly adsorbs CO 2 molecules. The H 2 O molecules on a fully saturated BaO surface (containing multiple layers of H 2 O molecules) readily aggregate, and Ba dissociation takes place on the hydrated surface, possibly resulting in a surface containing Ba defects.

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