Tailoring the optoelectronic properties and dielectric profiles of few-layer S-doped MoO<sub>3</sub> and O-doped MoS<sub>2</sub> nanosheets: a first-principles study
Masoud Shahrokhi, Tangui Le Bahers, Pascal Raybaud
Abstract
Opto-electronic properties and high frequency dielectric constant profiles of few layers van der Waals MoO 3− x S x /MoS 2− x O x heterostructures are simulated at DFT-HSE06 level for the purpose of photocatalytic applications.
Topics & Concepts
DielectricDopingMaterials sciencevan der Waals forceHeterojunctionPhotocatalysisOptoelectronicsHigh-κ dielectricLayer (electronics)NanotechnologyChemistryMoleculeOrganic chemistryCatalysis2D Materials and ApplicationsGas Sensing Nanomaterials and SensorsMXene and MAX Phase Materials