Compilation and deciphering MoS2’s physical properties: Accurate benchmark DFT simulations and assessment of advanced quantum methods
Najeh Rekik, Ibrahim Isah, Norah A. M. Alsaif, Muath Alkadi, Shehu Aminu Yamusa, Ibtihal M. Alsalamah, A. Shaari, G. Lakshminarayana, Saed Salman, Razif Razali, A. Wahab M. A. Hussein, Umer Farooq, Hira Affan
Topics & Concepts
Hybrid functionalBand gapLattice constantDensity functional theoryContext (archaeology)ChemistryLattice (music)Electronic structureComputational chemistryCondensed matter physicsPhysicsQuantum mechanicsAcousticsPaleontologyDiffractionBiology2D Materials and ApplicationsMXene and MAX Phase MaterialsChalcogenide Semiconductor Thin Films