Feasibility of pristine, Al-doped and Ga-doped Boron Nitride nanotubes for detecting SF4 gas: A DFT, NBO and QTAIM investigation
Ebrahim Nemati‐Kande, Ramin Karimian, Vahabodin Goodarzi, Ehsan Ghazizadeh
Topics & Concepts
NanotubeBoron nitrideNatural bond orbitalPhysisorptionMaterials scienceDensity functional theoryDopingNanotechnologyChemical physicsComputational chemistryAdsorptionPhysical chemistryCarbon nanotubeChemistryOptoelectronicsBoron and Carbon Nanomaterials ResearchGraphene research and applicationsSuperconductivity in MgB2 and Alloys