Elucidating the Structural, Electronic, Elastic, and Optical Properties of Bulk and Monolayer MoS<sub>2</sub> Transition-Metal Dichalcogenides: A DFT Approach
Shehu Aminu Yamusa, A. Shaari, Norah A. M. Alsaif, Ibtihal M. Alsalamah, Ibrahim Isah, Najeh Rekik
Abstract
-2D layered. The results obtained herein hold promise for structural, elastic, and optical properties and pave the way for potential applications in electronic and optoelectronic devices.
Topics & Concepts
MonolayerTransition metalMaterials scienceDensity functional theoryCondensed matter physicsChemical physicsElectronic structureNanotechnologyCrystallographyComputational chemistryChemistryPhysicsBiochemistryCatalysis2D Materials and ApplicationsChalcogenide Semiconductor Thin FilmsMXene and MAX Phase Materials