Incorporation of Non-metal Impurities at the Anatase TiO${}_2$(001)-(1$\times$4) Surface

Jun Hee Lee, Daniel Fernandez Hevia, Annabella Selloni

We use first-principles calculations to investigate the adsorption and incorporation of non-metal impurities (N, C) at the anatase TiO${}_2$(001)-(1$\times$4) reconstructed surface.…