ATOMIC-COORDINATION-IMPERFECTION-ENHANCEDPd-3d5/2CRYSTAL BINDING ENERGY

Chang Q. Sun ()
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Chang Q. Sun: School of Electrical and Electronic Engineering, Nanyang Technological University, Singapore 639798, Singapore

Surface Review and Letters (SRL), 2003, vol. 10, issue 06, 1009-1013

Abstract: Crystal binding energy of a core electron at the3d5/2level of a Pd atom has been estimated to be -4.0±0.02 eV by decoding the X-ray photoelectron spectra obtained from both the Pd surfaces and the Pd nanoparticles. Findings indicate that the increase in the binding energy originates from the effect of coordination number (CN) imperfection of atoms at a flat surface or at the curved surface of a nanosolid. The CN imperfection shortens the remaining bonds of the lower-coordinated atoms spontaneously associated with bond energy increase, which perturbs the Hamiltonian of an extended solid and hence shifts the core level to higher binding energy. Therefore, the significance of atomic CN imperfection cannot be overlooked in dealing with a low-dimensional system, and the recent bond-order–length–strength (BOLS) correlation mechanism is essentially adequate, for the significance of atomic CN imperfection.

Keywords: Electronic structure; XPS; nanostructures; surface relaxation; 73.22.-f; 68.35.BS; 33.60.Fy; 79.60; Bm (search for similar items in EconPapers)
Date: 2003
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DOI: 10.1142/S0218625X03005724

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