References
- Henry , C.R. 1998 . Surface studies of supported model catalysts . Surf. Sci. Rep. , 31 : 231 – 325 .
- Guenard , P. , Renaud , G. , Barbier , A. and Gautier-Soyer , M. 1998 . Determination of the α-Ai2O3(0001) surface relaxation and termination by measurements of crystal truncation rods . Surf. Rev. Lett. , 5 : 321 – 324 .
- Ahn , J. and Rabalais , J.W. 1997 . Composition and structure of the Al2O3(0001)-(1 × 1) surface . Surf. Sci. , 388 : 121 – 131 .
- Suzuki , T. , Hishita , S. , Oyoshi , K. and Souda , R. 1999 . Structure of α-Al2O3(0001) surface and Ti deposited on α-Al2O3(0001) substrate: CAICISS and RHEED study . Surf. Sci. , 437 : 289 – 298 .
- Felice , R.D. and Northrup , J.E. 1999 . Theory of the clean and hydrogenated Al2O3(0001)-(1 × 1) surfaces . Phys. Rev. , 60 : R16287 – R16290 .
- Lodziana , Z. , Norskov , J.K. and Stoltze , P. 2003 . The stability of the hydroxylated (0001) surface of α-Al2O3 . J. Chem. Phys. , 118 : 11179 – 11188 .
- Hernández , N.C. , Graciani , J. , Marquez , A. and Sanz , J.F. 2005 . Cu, Ag and Au atoms deposited on the α-Al2O3(0001) surface: a comparative density functional study . Surf. Sci. , 575 : 189 – 196 .
- Verdozzi , C. , Jennison , D.R. , Schultz , P.A. and Sears , M.P. 1999 . Sapphire (0001) surface, clean and with d-metal overlayers . Phys. Rev. Lett. , 82 : 799 – 802 .
- Delley , B. 1990 . An all-electron numerical method for solving the local density functional for polyatomic molecules . J. Chem. Phys. , 92 : 508 – 517 .
- Delley , B. 1996 . Fast calculation of electrostatics in crystals and large molecules . J. Phys. Chem , 100 : 6107 – 6110 .
- Delley , B. 2000 . From molecules to solids with the DMol3 approach . J. Chem. Phys. , 113 : 7756 – 7764 .
- 2009 . DMol3 Materials Studio 5.0 , San Diego, CA, USA : Accelrys Inc. .
- Perdew , J.P. , Burke , K. and Ernzerhof , M. 1996 . Generalized gradient approximation made simple . Phys. Rev. Lett. , 77 : 3865 – 3868 .
- Thompson , P. , Cox , D.E. and Hastings , J.B.J. 1987 . Rietveld refinement of Debye-Scherrer synchrotron X-ray data from Al2O3 . J. Appl. Cryst. , 20 : 79 – 83 .
- Ranea , V.A. , Schneider , W.F. and Carmichael , I. 2008 . DFT characterization of coverage dependent molecular water adsorption modes on α-Al2O3(0001) . Surf. Sci. , 602 : 268 – 275 .
- Chambers , S.A. , Droubay , T. , Jannison , D.R. and Mattsson , T.R. 2002 . Laminar growth of ultrathin metal films on metal oxides: Co on hydroxylated α-Al2O3(0001) . Science , 297 : 827 – 831 .
- Jannison , D.R. and Mattsson , T.R. 2003 . Atomic understanding of strong nanometer-thin metal/alumina interfaces . Surf. Sci. , 544 : L689 – L696 .