Nano Archive

Structure of Unsupported Small Palladium Nanoparticles

Qi, Weihong and Huang, Baiyun and Wang, Mingpu (2009) Structure of Unsupported Small Palladium Nanoparticles. Nanoscale Research Letters, 4 (3). pp. 269-273.

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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.

Item Type:Article
Uncontrolled Keywords:Lattice parameters - Atomic simulation - Bond energy - Nanoparticles
Subjects:Physical Science > Nano objects
Material Science > Nanostructured materials
ID Code:4176
Deposited By:Lesley Tobin
Deposited On:10 Aug 2009 16:38
Last Modified:10 Aug 2009 16:38

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