Orientation-resolved 3d5/2 energy shift of Rh and Pd surfaces: Anisotropy of the skin-depth lattice strain and quantum trapping
首发时间:2009-09-02
Abstract:Incorporating the BOLS correlation algorithm [C. Q. Sun, Phys Rev B 69, 045105 (2004); Y. Sun, J Phys Chem C 113, 14696 (2009)] into the high-resolution XPS measurements [J. N. Andersen, et al, Phys Rev B 50, 17525 (1994); A. Baraldi, et al, N J Phys 9, 143 (2007)] has turned out an effective way of determining the 3d5/2 energy levels of the isolated Rh(302.50 eV) and Pd(330.63 eV) atoms and their respective bulk shifts (3.95 and 3.99 eV) with a refinement of the effective atomic coordination numbers of the top (100), (110), and (111) atomic layers (4.00, 3.66, and 4.04). It is further confirmed that bonds between under-coordinated atoms become shorter and stronger, which induces local strain and the skin-depth charge and energy quantum trapping and hence derives the global positive energy shifts.
keywords: Surface core level shift CPS Pd Rh
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Orientation-resolved 3d5/2 energy shift of Rh and Pd surfaces: Anisotropy of the skin-depth lattice strain and quantum trapping
摘要:Incorporating the BOLS correlation algorithm [C. Q. Sun, Phys Rev B 69, 045105 (2004); Y. Sun, J Phys Chem C 113, 14696 (2009)] into the high-resolution XPS measurements [J. N. Andersen, et al, Phys Rev B 50, 17525 (1994); A. Baraldi, et al, N J Phys 9, 143 (2007)] has turned out an effective way of determining the 3d5/2 energy levels of the isolated Rh(302.50 eV) and Pd(330.63 eV) atoms and their respective bulk shifts (3.95 and 3.99 eV) with a refinement of the effective atomic coordination numbers of the top (100), (110), and (111) atomic layers (4.00, 3.66, and 4.04). It is further confirmed that bonds between under-coordinated atoms become shorter and stronger, which induces local strain and the skin-depth charge and energy quantum trapping and hence derives the global positive energy shifts.
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Orientation-resolved 3d5/2 energy shift of Rh and Pd surfaces: Anisotropy of the skin-depth lattice strain and quantum trapping
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