MOLECULAR AND ELECTRONIC STRUCTURES OF DEFORMED SINGLE-WALLED CARBON NANOTUBES AND THE ADSORPTION OF DIVALENT METAL IONS ON GRAPHENE OXIDE SHEET

The graphene studies are divided into two parts, a single-walled carbon nanotube (SWCNT) and graphene oxide (GO) sheet. Firstly, the molecular and electronic properties of SWCNTs can be modified by deforming their structures under high pressure. The aim of this study was to investigate the energy band gap using quantum calculations, in relation to molecular structures of armchair and zigzag SWCNTs of various sizes and shapes deformed by applied forces. To model an increase in...
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