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• W3136142553 endingPage "012029" @default.
• W3136142553 startingPage "012029" @default.
• W3136142553 abstract "Abstract On the basis of ab initio calculation, we reported the structural and electronic properties of the nickel (Ni) substitution on the cobalt oxide (Co 3 O 4 ) to produce nickel cobaltite (NiCo 2 O 4 ) using generalized gradient approximation + U parameter (GGA + U) calculation method. The spinel NiCo 2 O 4 with half-metallic behaviour has a relatively small band gap ∼0.64eV which is spotted decreased from pure Co 3 O 4 band gap 1.26eV. This is due to nickel doping decreased the band gap which also implies that an increase in electrical conductivity. Owing to good electrical conductivity, NiCo 2 O 4 thus enables to be considered for application in supercapacitor. Analysis of the partial density of states (PDOS) shows the differences contributions of cobalt (Co) at the tetrahedral site (Td) and Ni at the conduction bands: Co(Td) ions not affected the majority spin which is in contrast with Ni ions." @default.
• W3136142553 created "2021-03-29" @default.
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• W3136142553 date "2021-03-01" @default.
• W3136142553 modified "2023-10-14" @default.
• W3136142553 title "Structural and electronic properties of nickel doped cobalt oxide electrode for supercapacitors: A first principle study" @default.
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• W3136142553 doi "https://doi.org/10.1088/1755-1315/685/1/012029" @default.
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