Open AccessDensity functional theory study of structure, electronic and magnetic properties of non-metal (Group 13) doped stable $$\hbox {Rh}_{\mathrm{n}}({\mathrm{n}}=2{-}8)$$ Rh n ( n = 2 - 8 ) clusters and their catalytic activities towards methanol activation
Author(s) -
Abhijit Dutta,
Paritosh Mondal
Publication year - 2018
Publication title -
journal of chemical sciences
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.32
H-Index - 52
eISSN - 0973-7103
pISSN - 0253-4134
DOI - 10.1007/s12039-017-1402-3
Subject(s) - rhodium , density functional theory , crystallography , magnetic moment , metal , homo/lumo , electronic structure , doping , materials science , chemistry , catalysis , atomic physics , physics , computational chemistry , condensed matter physics , molecule , metallurgy , biochemistry , organic chemistry
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