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Doping of Graphene Nanostructure with Iron, Nickel and Zinc as Selective Detector for the Toxic Gas Removal: A Density Functional Theory Study

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2023-03-01

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(Fe, Ni, Zn)-doped/GSs | CO | HOMO | IR | LUMO | NMR | ONIOM/DFT | toxic gases | UV-VIS

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https://hdl.handle.net/20.500.12597/17039

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