Metal Oxide Surfaces: Electronic Structure and Molecular Adsorption

The surface science of oxides has received considerably less attention than the study of metal surfaces. We review some of our work on structural characterization and electronic structure investigations on oxide surfaces which we prepare as thin oxide films on metallic substrates. This preparation method leads to certain experimental advantages concerning the application of electron spectroscopies on such systems. We discuss molecular adsorption on non-polar and polar surfaces of clean oxides. The influence of metal deposition onto the oxide surfaces and on their properties with respect to adsorption is described. Light induced processes with full quantum state detection of desorbing molecules are addressed. The possibility of studying dynamic processes in adsorbates on oxides via electron spin resonance spectroscopy is evaluated.

[1]  Konstantin M. Neyman,et al.  Bonding and vibrations of CO molecules adsorbed at transition metal impurity sites on the MgO (001) surface. A density functional model cluster study , 1993 .

[2]  H. Freund,et al.  Hydroxyl groups on oxide surfaces: NiO(100), NiO(111) and Cr2O3(111) , 1993 .

[3]  Gianfranco Pacchioni,et al.  Physisorbed and chemisorbed CO2 at surface and step sites of the MgO(100) surface , 1993 .

[4]  Arun S. Mujumdar,et al.  Introduction to Surface Chemistry and Catalysis , 1994 .

[5]  J. T. Ranney,et al.  The Surface Science of Metal Oxides , 1995 .

[6]  Gerhard Ertl,et al.  Low Energy Electrons and Surface Chemistry , 1974 .

[7]  R. Dovesi,et al.  Ab-initio Hartree-Fock perturbed-cluster treatment of local chemisorption: isolated carbon monoxide on a periodic MgO(100) substrate , 1989 .

[8]  H. Freund,et al.  Electronic surface state of NiO (100) , 1993 .

[9]  D. L. Wood,et al.  Electronic Spectra of Exchange-Coupled Ion Pairs in Crystals , 1959 .

[10]  H. Freund,et al.  Adsorption and reaction on oxide surfaces: NO, NO2 on Cr2O3(111)/Cr(110) , 1991 .

[11]  M. Bäumer,et al.  The structure of thin NiO(100) films grown on Ni(100) as determined by low-energy-electron diffraction and scanning tunneling microscopy , 1991 .

[12]  K. Jacobi,et al.  Physisorption of N2 and CO on Al(111): A combined HREELS-UPS investigation , 1989 .

[13]  T. Gustafsson,et al.  The orientation of CO adsorbed on Ni(100) , 1977 .

[14]  H. Freund,et al.  Lifetimes of electronically excited states of molecules on oxide versus metal surfaces , 1993 .

[15]  C. Truong,et al.  Interactions of Ammonia with a NiO( 100) Surface Studied by High-Resolution Electron Energy Loss Spectroscopy and Temperature Programmed Desorption Spectroscopy , 1993 .

[16]  Koninklijke Nederlandse Akademie van Wetenschappen,et al.  Pulsed EPR : a new field of applications , 1989 .

[17]  H. Bonzel.  Alkali-metal-affected adsorption of molecules on metal surfaces , 1988 .

[18]  V. Henrich.  Metal-oxide surfaces , 1995 .

[19]  J. Davenport.  Ultraviolet Photoionization Cross Sections for N 2 and CO , 1976 .

[20]  H. Freund,et al.  Adsorption and Reaction on Oxide Surfaces: CO and CO2 on Cr2O3(111) , 1992 .

[21]  D. Eastman,et al.  Partial photoionization cross sections of N_{2} and CO using synchrotron radiation , 1977 .

[22]  M. Bäumer,et al.  Hydroxy1 driven reconstruction of the polar NiO(111) surface , 1994 .

[23]  H. Freund,et al.  Electron Spin‐Resonance (ESR) Studies of Adsorbate Dynamics on Single Crystal Surfaces: Possibilities and Limitations , 1993 .

[24]  C. Truong,et al.  Adsorption of formaldehyde on nickel oxide studied by thermal programmed desorption and high-resolution electron energy loss spectroscopy , 1993 .

[25]  D. W. Johnson,et al.  Ultraviolet absorption spectrum of Cr2O3 from reflectivity measurements , 1977 .

[26]  Dillmann,et al.  Metallic-to-nonmetallic transition of Na coadsorbed with CO2 and H2O on the Cr2O3(111)/Cr(110) surface. , 1992, Physical Review B (Condensed Matter).

[27]  H. Güdel,et al.  Exchange interactions in a trigonal chromium(III) pair , 1987 .

[28]  V. Staemmler.  Quantum Chemical ab initio Calculations for the Adsorption of Small Molecules on NiO(100) , 1993 .

[29]  C. Kittel.  Introduction to solid state physics , 1954 .

[30]  Neumann,et al.  Molecular adsorption on oxide surfaces: Electronic structure and orientation of NO on NiO(100)/Ni(100) and on NiO(100) as determined from electron spectroscopies and ab initio cluster calculations. , 1991, Physical review. B, Condensed matter.

[31]  R. D. Schnell,et al.  Angle-resolved photoemission of CO chemisorption on Pd(111) , 1984 .

[32]  M. Bäumer,et al.  Electronic and geometric structure of adsorbates on oxide surfaces , 1994 .

[33]  L. Pettersson,et al.  Adsorption of small molecules on metal oxides , 1994 .

[34]  G. Pacchioni,et al.  Final state effects for the core-level XPS spectra of NiO , 1993 .

[35]  G. Pacchioni,et al.  Chemisorption of CO on defect sites of MgO , 1992 .

[36]  H. Freund,et al.  Unusual state of adsorbed CO : CO(√3×√3)R30°/Cr2O3(111) , 1991 .

[37]  Hans-Joachim Freund,et al.  Structure and defects of an ordered alumina film on NiAl(110) , 1994 .

[38]  M. Wuttig,et al.  Formation of a well-ordered aluminium oxide overlayer by oxidation of NiAl(110) , 1991 .

[39]  Gianfranco Pacchioni,et al.  Characterization of oxide surfaces by infrared spectroscopy of adsorbed carbon monoxide: a theoretical investigation of the frequency shift of CO on MgO and NiO , 1991 .

[40]  D. Eastman,et al.  Photoemission from physisorbed Co on clean and Xe-covered Al(111) , 1980 .

[41]  M. Bäumer,et al.  Adsorption on oxide surfaces: structure and dynamics , 1994 .

[42]  V. Staemmler,et al.  Ab initio calculations for the adsorption of small molecules on metal oxide surfaces. I. Cluster calculations for carbon monoxide CO on nickel oxide NiO(100) , 1992 .

[43]  G. Pacchioni,et al.  Adsorption and Reaction of CO and CO2 at the Surface and Defect Sites of MgO and NiO , 1993 .

[44]  Gerhard Ertl,et al.  Physics and chemistry of alkali metal adsorption , 1989 .

[45]  P. Redhead.  Thermal desorption of gases , 1962 .

[46]  D. Goodman,et al.  Infrared study of CO on NiO(100) , 1994 .

[47]  Konstantin M. Neyman,et al.  Bonding and vibration of CO molecules adsorbed on low-coordinated surface sites of MgO: a LCGTO-LDF cluster investigation , 1993 .

[48]  Konstantin M. Neyman,et al.  CO adsorption on the (001) surface of MgO: a comparison of Hartree-Fock and local density functional results , 1994 .

[49]  H. Freund,et al.  NO on CoO(111)Co(0001): hydroxyl assisted adsorption , 1995 .

[50]  M. Bäumer,et al.  Structural characterization of platinum deposits supported on ordered alumina films , 1994 .

[51]  R. N. Rogers,et al.  Electron Spin Resonance , 1968 .

[52]  Michael T. Hutchings,et al.  Inelastic neutron scattering investigation of spin waves and magnetic interactions in Cr2O3 , 1969 .

[53]  H. Freund,et al.  Photoemission of molecular adsorbates , 1988 .

[54]  J. Freed,et al.  Ultrahigh vacuum ESR studies on clean metal surfaces: NO2 on copper , 1980 .