Computational Study of Transition-Metal Substitutions in Rutile TiO${}_2$ (110) for Photoelectrocatalytic Ammonia Synthesis

Benjamin M. Comer, Max H. Lenk, Aradhya P. Rajanala +2

Synthesis of ammonia through photo- and electrocatalysis is a rapidly growing field. Titania-based catalysts are widely reported for photocatalytic ammonia synthesis and have also…