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The contribution of lattice strain to core-level binding energy shifts in metal nanoparticles: Generality and origin of the shifts

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Freund,  Hans-Joachim
Chemical Physics, Fritz Haber Institute, Max Planck Society;

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引用

Bagus, P. S., Wieckowski, A., & Freund, H.-J. (2012). The contribution of lattice strain to core-level binding energy shifts in metal nanoparticles: Generality and origin of the shifts. Computational and theoretical chemistry, 987, 22-24. doi:10.1016/j.comptc.2011.06.028.


引用: http://hdl.handle.net/11858/00-001M-0000-0010-506C-5
要旨
Changes of the inter-atomic distances, described as lattice strain, make important, initial state, contributions to the shifts of core-level binding energies, ΔBE’s, of supported nano-particles as the size of the particles changes. In the present paper, we consider how the BE shifts due to lattice strain vary for the 3d, 4d, and 5d noble metals, Cu, Ag, and Au. We identify and discuss two important but cancelling mechanisms that contribute to the total BE shifts. We predict and explain why the ΔBE will be larger for 3d series metals than for those of the 4d and 5d series.