X-ray photoelectron diffraction (XPED) studies on metal oxide surfaces. I. Analysis of the XPED patterns from TiO2(001) and .ALPHA.-Al2O3(0001) by the single scattering calculation.

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概要

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• X-Ray photoelectron diffraction (XPED) measurements were applied to the (001) surface of TiO<SUB>2</SUB> rutile and the (0001) surface of α-Al<SUB>2</SUB>O<SUB>3</SUB> in order to examine the applicability of XPED to metal oxides. Obtained XPED patterns were compared with the results of theoretical calculations based on a single scattering model. The calculated patterns from both oxides agreed with the experimental patterns. It was revealed from theoretical calculations that the four oxygen atoms in the unit cell of TiO<SUB>2</SUB> made different contributions to the XPED pattern which reflected different atomic environments. The same calculation was also made on titanium in TiO<SUB>2</SUB>, and on aluminum and oxygen in Al<SUB>2</SUB>O<SUB>3</SUB>. This clarified the contributions of nonequivalent sites of emitter atoms to the main peaks in the experimental XPED patterns. In comparison with the crystal structures, some peaks could be attributed to some specific emitters or specific emitter-scatterer pairs. This analysis was found to be useful to interpret experimental XPED patterns, and is expected to be applied to the analysis of the structures of surfaces or interfaces related to such phenomena as selective desorption or substitution of specific site of atoms.

• 公益社団法人 日本化学会の論文

著者

• Nihei Yoshimasa

  Institute Of Industrial Science The University Of Tokyo

• Kudo Masahiro

  Institute Of Industrial Science University Of Tokyo

• Owari Masanori

  Institute Of Industrial Science University Of Tokyo

• Tamura Koji

  Institute of Industrial Science, University of Tokyo

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