A diagnosis approach for semiconductor properties evaluation from ab initio calculations: Ag-based materials investigation
Luís Henrique da Silveira Lacerda, E. Longo, Juán Andrés, Miguel A. San‐Miguel
Topics & Concepts
SemiconductorBand gapCharge carrierDensity functional theoryElectronic structureChemistryAb initioElectronic band structureDirect and indirect band gapsAb initio quantum chemistry methodsMaterials scienceHybrid functionalValence (chemistry)Computational chemistryChemical physicsCondensed matter physicsOptoelectronicsMoleculePhysicsOrganic chemistryAdvanced Photocatalysis TechniquesCopper-based nanomaterials and applicationsGas Sensing Nanomaterials and Sensors