Developing the amazing photocatalyst of ZnAg2GeSe4, ZnAg2Ge0.93Fe0.07Se4 and ZnAg2Ge0.86Fe0.14Se4 through the computational explorations by four DFT functionals
Ajoy Kumer, Unesco Chakma
Abstract
can show the highest absorption up to convenience energy region as photocatalyst.
Topics & Concepts
Band gapCrystal structureAtom (system on chip)Materials scienceDirect and indirect band gapsCrystal (programming language)Electronic band structureElectronic structureCrystallographyAnalytical Chemistry (journal)ChemistryCondensed matter physicsPhysicsComputational chemistryOptoelectronicsComputer scienceProgramming languageChromatographyEmbedded systemChalcogenide Semiconductor Thin FilmsAdvanced Photocatalysis TechniquesQuantum Dots Synthesis And Properties