Adsorption, excitation analysis, and sensor properties of heteroatoms (S, P, Si) encapsulated gallium nitride nanotube for hexanol application: A computational approach
Inyang O. Oyo-Ita, Victory C. Nsofor, Ibtehaj F. Alshdoukhi, Hewa Y. Abdullah, N. Sfina, Bassey B. Asuquo, Terkumbur E. Gber, Adedapo S. Adeyinka, Muyiwa Michael Orosun, Hitler Louis
Topics & Concepts
Materials scienceHeteroatomDensity functional theoryAdsorptionBinding energyBand gapDopingExcitonElectron affinity (data page)GalliumTime-dependent density functional theoryCovalent bondChemical physicsNanotechnologyPhysical chemistryComputational chemistryAtomic physicsOptoelectronicsCondensed matter physicsOrganic chemistryMoleculeChemistryPhysicsRing (chemistry)MetallurgyGas Sensing Nanomaterials and Sensors2D Materials and ApplicationsBoron and Carbon Nanomaterials Research