Suppression of Surfaces States at Cubic Perovskite (001) Surfaces by CO${}_2$ Adsorption

Kostiantyn V. Sopiha, Oleksandr I. Malyi, Clas Persson +1

By using first-principles approach, the interaction of CO${}_2$ with (001) surfaces of six cubic ABO${}_3$ perovskites (A = Ba, Sr and B = Ti, Zr, Hf) is studied in detail. We show…