The impact of anionic vacancies on the mechanical properties of NbC and NbN: An ab initio study
Perpetua Wanjiru Muchiri, K.K. Korir, N.W. Makau, George Amolo
Topics & Concepts
Ab initioCarbideMaterials scienceVacancy defectNiobiumNitrideDensity functional theoryAb initio quantum chemistry methodsNiobium nitrideBrittlenessElectronic structureMXenesSofteningCovalent bondToughnessMetallic bondingChemical physicsMetalComputational chemistryCrystallographyNanotechnologyChemistryMetallurgyComposite materialMoleculeOrganic chemistryLayer (electronics)Metal and Thin Film MechanicsBoron and Carbon Nanomaterials ResearchMXene and MAX Phase Materials