A tight binding molecular dynamics calculation has been conducted to study the size and coordination dependence of bond length and bond energy of Pd atomic clusters of 1.2-5.4 nm in diameter. It has been found that the bond contraction associated with bond energy increases in the outermost layer about 0.24 nm in a radial way, yet in the core interior the bond length and the bond energy remain their corresponding bulk values. This surface bond contraction is independent of the particle size.
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|---|---|
| http://www.ncbi.nlm.nih.gov/pmc/articles/PMC2894313 | PMC |
| http://dx.doi.org/10.1007/s11671-008-9236-z | DOI Listing |
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