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ChemInform Abstract: Local Density Functional Study of Copper Clusters: A Comparison Between Real Clusters, Model Surface Clusters, and the Actual Metal Surface.

โœ Scribed by Xavier Crispin; Christophe Bureau; Victor Geskin; Roberto Lazzaroni; Jean-Luc Bredas


Publisher
John Wiley and Sons
Year
2010
Weight
24 KB
Volume
30
Category
Article
ISSN
0931-7597

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Local Density Functional Study of Copper
โœ Xavier Crispin; Christophe Bureau; Victor Geskin; Roberto Lazzaroni; Jean-Luc Br ๐Ÿ“‚ Article ๐Ÿ“… 1999 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 420 KB ๐Ÿ‘ 2 views

Density Functional Theory is used to study the influence of to the system, a simple expression is proposed to estimate its value from the eigenenergies of the frontier levels in neutral the size of copper clusters modeling the Cu(100) surface, on the electronic properties: ionization potential, elec