Mechanistic investigation of benzene esterification by K 2 CO 3 /TiO 2 : the catalytic role of the multifunctional interface

Potassium carbonate dispersed over a defective TiO 2 support (K 2 CO 3 /TiO 2 ) is an efficient catalyst for benzene esterification with CO 2 and CH 3 OH. Density functional theory calculations reveal that this unique catalytic reactivity originates from the cooperation of the Ti 3+ /K + surface sites. The K 2 CO 3 promotor steers the stabilization of surface intermediates thus preventing catalyst deactivation.