Highly under-coordinated atoms at Rh surfaces: interplay of strain and coordination effects on core level shift

Details Highly under-coordinated atoms at Rh surfaces: interplay of strain and coordination effects on core level shift Highly under-coordinated atoms at Rh surfaces: interplay of strain and coordination effects on core level shift

May 2007

adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=2007njph....9..143b&link_type=abstract

New Journal of Physics, Volume 9, Issue 5, pp. 143 (2007).

Physics

11

Scientific paper

The electronic structure of highly under-coordinated Rh atoms, namely adatoms and ad-dimers, on homo-metallic surfaces has been probed by combining high-energy resolution core level photoelectron spectroscopy and density functional theory calculations. The Rh3d5/2 core level shifts are shown to be proportional to the number of Rh nearest-neighbours (n = 3, 4 and 5). A more refined analysis shows that the energy position of the different core level components is correlated with the calculated changes of the individual inter-atomic bond length and to the energy changes of the d-band centre, which is known to be a reliable descriptor of local chemical reactivity.

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