Structural, optical, electronic, elastic properties and population inversion of novel 2D carbides and nitrides MXene: A DFT study
Jaweria Fatima, M.B. Tahir, Awais Ur Rehman, M. Sagir, Muhammad Rafique, M.S. Al-Assiri, Muhammad Imran, Meshal Alzaid
Topics & Concepts
Materials scienceIonic bondingElectronic structureCASTEPBand gapPopulationCondensed matter physicsCovalent bondCarbideComputational chemistryOptoelectronicsChemistryIonComposite materialPhysicsSociologyOrganic chemistryDemographyMXene and MAX Phase MaterialsBoron and Carbon Nanomaterials Research2D Materials and Applications