TY - JOUR
T1 - Theoretical Study of Small Niobium Sulphide Clusters, $Nb_nS_m (m,n=1, 2)$
AU - Pandey , Saurabh
AU - Srivastava , Ambrish Kumar
AU - Pandey , Anoop
AU - Misra , Neeraj
JO - Journal of Atomic and Molecular Sciences
VL - 3
SP - 231
EP - 237
PY - 2014
DA - 2014/05
SN - 5
DO - http://doi.org/10.4208/jams.040214.062114a
UR - https://global-sci.org/intro/article_detail/jams/8308.html
KW - atomic clusters, stability, density functional theory (DFT).
AB - <p style="text-align: justify;">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.</p>