Structure of Unsupported Small Palladium Nanoparticles

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 abo...

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Detalles Bibliográficos
Autores principales: Qi, Weihong, Huang, Baiyun, Wang, Mingpu
Formato: Texto
Lenguaje:English
Publicado: Springer 2009
Materias:
Nano Express
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2894313/
https://www.ncbi.nlm.nih.gov/pubmed/20596331
http://dx.doi.org/10.1007/s11671-008-9236-z
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author Qi, Weihong
Huang, Baiyun
Wang, Mingpu
author_facet Qi, Weihong
Huang, Baiyun
Wang, Mingpu
author_sort Qi, Weihong
collection PubMed
description 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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spelling pubmed-28943132010-06-30 Structure of Unsupported Small Palladium Nanoparticles Qi, Weihong Huang, Baiyun Wang, Mingpu Nanoscale Res Lett Nano Express 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. Springer 2009-01-07 /pmc/articles/PMC2894313/ /pubmed/20596331 http://dx.doi.org/10.1007/s11671-008-9236-z Text en Copyright ©2008 to the authors
spellingShingle Nano Express
Qi, Weihong
Huang, Baiyun
Wang, Mingpu
Structure of Unsupported Small Palladium Nanoparticles
title Structure of Unsupported Small Palladium Nanoparticles
title_full Structure of Unsupported Small Palladium Nanoparticles
title_fullStr Structure of Unsupported Small Palladium Nanoparticles
title_full_unstemmed Structure of Unsupported Small Palladium Nanoparticles
title_short Structure of Unsupported Small Palladium Nanoparticles
title_sort structure of unsupported small palladium nanoparticles
topic Nano Express
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2894313/
https://www.ncbi.nlm.nih.gov/pubmed/20596331
http://dx.doi.org/10.1007/s11671-008-9236-z
work_keys_str_mv AT qiweihong structureofunsupportedsmallpalladiumnanoparticles
AT huangbaiyun structureofunsupportedsmallpalladiumnanoparticles
AT wangmingpu structureofunsupportedsmallpalladiumnanoparticles

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