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Ab initio study of electronic and optical properties of penta-SiC2 and -SiGeC4 monolayers for solar energy conversion

I. Bouziani, Zakaryae Haman, Moussa Kibbou, Y. Benhouria, I. Essaoudi, A. Ainane, Rajeev Ahuja

2020Superlattices and Microstructures23 citationsDOI

Topics & Concepts

Density functional theoryMonolayerAb initioBand gapMaterials scienceSemiconductorAtomic orbitalElectronic structureIonic bondingMolecular physicsAbsorption (acoustics)Ab initio quantum chemistry methodsComputational chemistryCondensed matter physicsPhysicsOptoelectronicsChemistryNanotechnologyElectronMoleculeQuantum mechanicsComposite materialIon2D Materials and ApplicationsMXene and MAX Phase MaterialsBoron and Carbon Nanomaterials Research
Ab initio study of electronic and optical properties of penta-SiC2 and -SiGeC4 monolayers for solar energy conversion | Litcius