Computational and experimental studies of non-metal-terminated surfaces of anatase and rutile TiO2
Yang H.G., Sun C.H., Qiao S.Z., Zhou J., Smith S.C., Cheng H.M., Lu G.Q., University of Queensland, AU
The structures and free energies ( ) of low index surfaces of anatase and rutile TiO2 terminated by nonmetals (H, B, C, N, O, F, Si, P, S, Cl, Br, and I) have been studied [...]