Chemical Modification of Aluminum Nitride Nanotubes (AlNNT) using-OH, C=O, R-SH functional groups: First Principle's study
V. Abinaya, D. John Thiruvadigal, R. Akash, A. Sakthi Balaji, R.M. Hariharan, J. Sneha, U Adharsh, K. Janani Sivasankar
Topics & Concepts
Density functional theoryMaterials scienceBand gapIonic bondingSurface modificationCovalent bondGibbs free energyChemical stabilitySolubilitySolvationNitrideChemical modificationComputational chemistryChemical physicsPhysical chemistryNanotechnologyChemical engineeringMoleculeOrganic chemistryThermodynamicsPolymer chemistryChemistryPhysicsIonEngineeringLayer (electronics)OptoelectronicsBoron and Carbon Nanomaterials ResearchMXene and MAX Phase MaterialsGaN-based semiconductor devices and materials