PbTiO${}_3$(001) Capped with ZnO(11$\bar{2}$0): An Ab-Initio Study of Effect of Substrate Polarization on Interface Composition and CO${}_2$ Dissociation

Babatunde Alawode, Alexie Kolpak

Catalytic conversion of CO${}_2$ into useful chemicals is an attractive alternative to expensive physical carbon sequestration methods. However, this approach is challenging because…