Mechanistic investigation of benzene esterification by K₂CO₃/TiO₂: The catalytic role of the multifunctional interface

Potassium carbonate dispersed over a defective TiO₂support (K₂CO₃/TiO₂) is an efficient catalyst for benzene esterification with CO₂and CH₃OH. Density functional theory calculations reveal that this unique catalytic reactivity originates from the cooperation of the Ti³⁺/K⁺surface sites. The K₂CO₃promotor steers the stabilization of surface intermediates thus preventing catalyst deactivation.