Adsorption of methyl isocyanate on M4 (M=Fe,Ni, and Cu) cluster-decorated graphene and vacancy graphene: a DFT-D2 study |
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| Authors: | Jogender Mandeep Badhani Bharti Kakkar Rita |
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| Affiliation: | 1.Computational Chemistry Laboratory, Department of Chemistry, University of Delhi, Delhi, 110007, India
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| Abstract: | Structural Chemistry - Adsorption of a toxic gas, methyl isocyanate (MIC), has been studied on different metal (Fe, Ni, and Cu) cluster-decorated graphene and vacancy graphene. The binding of M4... |
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