Ab Initio Study of TEPA Adsorption on Pristine, Al and Si Doped Carbon and Boron Nitride Nanotubes
Mir Saleh Hoseininezhad-Namin, Parinaz Pargolghasemi, M. Fahandezh Saadi, Mohammad Ramezani Taghartapeh, Nafiseh Abdolahi, Alireza Soltani, Andrew Ng Kay Lup
Topics & Concepts
Materials scienceDensity functional theoryBoron nitrideAdsorptionDopingAb initioComputational chemistryCarbon nanotubeBasis setMoleculeNanotechnologyChemical engineeringChemical physicsPhysical chemistryOrganic chemistryChemistryOptoelectronicsEngineeringBoron and Carbon Nanomaterials ResearchFullerene Chemistry and ApplicationsCarbon Nanotubes in Composites