Quantum Mechanical Process of Carbonate Complex Formation and Large Scale Anisotropy in the Adsorption Energy of CO${}_2$ on Anatase TiO${}_2$ (001) Surface

Shashi B. Mishra, Aditya Choudhary, Somnath C. Roy +1

Adsorption of CO${}_2$ on a semiconductor surface is a prerequisite for its photocatalytic reduction. Owing to superior photocorrosion resistance, nontoxicity and suitable band edge…