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Study of small metallic nanoparticles: An ab-initio full-potential muffin-tin orbitals based molecular dynamics study of small Cu clusters
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UNSPECIFIED (2003) Study of small metallic nanoparticles: An ab-initio full-potential muffin-tin orbitals based molecular dynamics study of small Cu clusters. INTERNATIONAL JOURNAL OF MODERN PHYSICS B, 17 (10). pp. 2061-2075. ISSN 0217-9792.
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Abstract
The equilibrium structures and cohesive energies of small Cu-n clusters using the full-potential muffin-tin orbitals (FP-LMTO) based molecular dynamics (MD) have been studied for n less than or equal to 9. The results obtained have been compared with other chemical methods. We propose the FP-LMTO-MD technique to be a useful starting point of more empirical methods which can efficiently deals with larger cluster sizes relevant for nanoparticles.
Item Type: | Journal Article | ||||
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Subjects: | Q Science > QC Physics | ||||
Journal or Publication Title: | INTERNATIONAL JOURNAL OF MODERN PHYSICS B | ||||
Publisher: | WORLD SCIENTIFIC PUBL CO PTE LTD | ||||
ISSN: | 0217-9792 | ||||
Official Date: | 20 April 2003 | ||||
Dates: |
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Volume: | 17 | ||||
Number: | 10 | ||||
Number of Pages: | 15 | ||||
Page Range: | pp. 2061-2075 | ||||
Publication Status: | Published |
Data sourced from Thomson Reuters' Web of Knowledge
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