DFT investigation of the electronic and optical properties of hexagonal MX<sub>2</sub>/ZrXO (M = W, Mo and X = S, Se) van der Waals heterostructures for photovoltaic solar cell application
Aman kassaye Sibhatu, Tamiru Teshome, Omololu Akin‐Ojo, Abubeker Yimam, Georgies Alene Asres
Abstract
/ZrXO van der Waals heterostructures are excellent photovoltaic candidates with a maximum achived power conversion efficiency of above 22%. Furthermore, we discovered that the heterostructure materials have a high absorption efficiency which is good for the intended photovoltaic solar cell application.
Topics & Concepts
Hexagonal crystal systemPhotovoltaic systemSolar cellMaterials scienceHeterojunctionvan der Waals forceCrystallographyOptoelectronicsChemistryMoleculeOrganic chemistryElectrical engineeringEngineering2D Materials and ApplicationsMXene and MAX Phase MaterialsBoron and Carbon Nanomaterials Research