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NBO, AIM, HOMO–LUMO and thermodynamic investigation of the nitrate ion adsorption on the surface of pristine, Al and Ga doped BNNTs: A DFT study

Materials ScienceChemical EngineeringThermodynamic InvestigationEngineeringBoron NitrideHexagonal Boron NitrideSurface ScienceChemisorptionSolid-state ChemistryPhysical ChemistryNitrate Ion AdsorptionChemistryDft Study