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First-principles study of the transition metal (Rh, Ru, Mo and Co)- doped GaN monolayers: Structural stability, electronic properties and potential for toxic gas detection

Nedjoua Cheghib, Abdel‐Ghani Boudjahem, Meryem Derdare

2025Materials Science in Semiconductor Processing11 citationsDOI

Topics & Concepts

PhysisorptionMonolayerAdsorptionMaterials scienceChemisorptionDopantAtomic orbitalTransition metalDopingMoleculeChemical physicsBand gapHOMO/LUMOElectronic structureDensity functional theoryMetalPhysical chemistryOrbital hybridisationComputational chemistryPhotochemistryMolecular orbitalHybrid functionalInorganic chemistryNanotechnologyElectronic band structureFermi level2D Materials and ApplicationsGas Sensing Nanomaterials and SensorsGaN-based semiconductor devices and materials
First-principles study of the transition metal (Rh, Ru, Mo and Co)- doped GaN monolayers: Structural stability, electronic properties and potential for toxic gas detection | Litcius