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• W3169215449 abstract "In this work, the interactions between the Na neutral atom and Na+ ion and three nanostructures such as sumanene (SM), corannulene (CN) and nanosheet were investigated. The main goal of this work is to calculate the cell voltage (V) for Na−ion batteries, NIBs. The total energies, geometry optimizations and density of states (DOS) diagrams were studied by using M06−2X level and 6−31+G(d,p) basis set. The DFT calculations indicated that the energy adsorption between Na+ ion and nanostructures, Ead, were increased in the order: SM-i > Sheet > CN-i > CN > SM. Nevertheless, the Vcell for SM was obtained the highest value. The Vcell of NABs are increased in the order: SM > CN > Sheet > SM-i > CN-i. This research theoretically described the possible uses of the mentioned nanostructures as anode the anodes in Na−ion Batteries." @default.
• W3169215449 created "2021-06-22" @default.
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• W3169215449 date "2021-06-01" @default.
• W3169215449 modified "2023-09-23" @default.
• W3169215449 title "A Computational Study on the Some Small Graphene-Like Nanostructures as the Anodes in Na−Ion Batteries" @default.
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• W3169215449 doi "https://doi.org/10.30492/ijcce.2020.122123.3987" @default.
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