Effect of biaxial strain and vacancy defects in 2D MoS2 monolayer for the sensing of nitrobenzene: A DFT investigation
Seetha Lakshmy, Manikandan Kandasamy, Nandakumar Kalarikkal, Brahmananda Chakraborty
Topics & Concepts
MonolayerMaterials scienceVacancy defectDensity functional theoryAdsorptionValence (chemistry)Chemical physicsPhosphoreneAtomic orbitalNitrobenzeneNanotechnologyComputational chemistryPhysical chemistryCrystallographyOrganic chemistryChemistryQuantum mechanicsCatalysisElectronPhysics2D Materials and ApplicationsMXene and MAX Phase MaterialsGraphene research and applications