Year: 2014
Author: Saurabh Pandey, Ambrish Kumar Srivastava, Anoop Pandey, Neeraj Misra
Journal of Atomic and Molecular Sciences, Vol. 5 (2014), Iss. 3 : pp. 231–237
Abstract
Clusters are well known for their extensive applications in various fields as their properties are quite different from their bulk analog. In the present study, we have investigated various conformers of $Nb_nS_m (n,m=1, 2)$ clusters in their neutral as well as anionic and cationic states. Their stabilities are discussed by calculating binding energies per atom and fragmentation energies against dissociation to $S$ atom. The electronic properties are also explored for all the species.
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Journal Article Details
Publisher Name: Global Science Press
Language: English
DOI: https://doi.org/10.4208/jams.040214.062114a
Journal of Atomic and Molecular Sciences, Vol. 5 (2014), Iss. 3 : pp. 231–237
Published online: 2014-01
AMS Subject Headings: Global Science Press
Copyright: COPYRIGHT: © Global Science Press
Pages: 7
Keywords: atomic clusters stability density functional theory (DFT).