Author/Authors :
Sierka، نويسنده , , Marek and Todorova، نويسنده , , Tanya K. and Kaya، نويسنده , , Sarp and Stacchiola، نويسنده , , Dario and Weissenrieder، نويسنده , , Jonas and Lu، نويسنده , , Junling and Gao، نويسنده , , Hongjun and Shaikhutdinov، نويسنده , , Shamil and Freund، نويسنده , , Hans-Joachim and Sauer، نويسنده , , Joachim، نويسنده ,
Abstract :
The stability of ordered one- and two-dimensional silica structures formed on a Mo(1 1 2) surface as a function of silicon coverage and oxygen pressure (phase diagram) is derived from density functional theory. At elevated oxygen pressures formation of a new, previously not considered structure of two-dimensional silica film is predicted. It contains additional oxygen atoms adsorbed directly on the Mo(1 1 2) surface underneath a two-dimensional network of corner sharing [SiO4] tetrahedra. The existence of the new phase is confirmed experimentally using infrared reflection absorption spectroscopy and X-ray photoelectron spectroscopy.
