Open Access Nano Express

Structure of Unsupported Small Palladium Nanoparticles

Weihong Qi12*, Baiyun Huang3 and Mingpu Wang12

Author affiliations

1 School of Materials Science and Engineering, Central South University, Changsha, 410083, People’s Republic of China

2 Key Laboratory of Non-Ferrous Materials Science and Engineering, Ministry of Education, Changsha, 410083, People’s Republic of China

3 State Key Laboratory of Powder Metallurgy, Central South University, Changsha, 410083, People’s Republic of China

For all author emails, please log on.

Citation and License

Nanoscale Research Letters 2009, 4:269-273  doi:10.1007/s11671-008-9236-z

Published: 7 January 2009

Abstract

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.

Keywords:
Lattice parameters; Atomic simulation; Bond energy; Nanoparticles