Linked Life Data

19895007

Source:http://linkedlifedata.com/resource/pubmed/id/19895007

Statements in which the resource exists as a subject.
PredicateObject
rdf:type
lifeskim:mentions
pubmed:issue
17
pubmed:dateCreated
2009-11-9
pubmed:abstractText
We present the structural, electronic, and optical properties of bimetallic Ag(n)Ni(n) (n<or=7) clusters investigated in the framework of the density functional theory (DFT) (DFT and time-dependent DFT). The structure of Ag(n)Ni(n) clusters is found to be governed essentially by the formation of a Ni-core surrounded by silver atoms. The cohesive energies and the ionization potentials are calculated. The UV-visible absorption spectra of bimetallic clusters are compared to those of pure silver and nickel clusters. An interpretation of spectroscopic patterns in terms of contribution from s- and d-type excitations is also given. In particular the d electrons of nickel atoms are found to play a crucial role in the optical transitions in Ni-rich systems.
pubmed:language
eng
pubmed:journal
pubmed:status
PubMed-not-MEDLINE
pubmed:month
Nov
pubmed:issn
1089-7690
pubmed:author
pubmed:issnType
Electronic
pubmed:day
7
pubmed:volume
131
pubmed:owner
NLM
pubmed:authorsComplete
Y
pubmed:pagination
174302
pubmed:year
2009
pubmed:articleTitle
Structure and optical properties of core-shell bimetallic Ag(n)Ni(n) clusters: Comparison with pure silver and nickel clusters.
pubmed:affiliation
Université de Lyon, F-69622 Lyon, France.
pubmed:publicationType
Journal Article