Regulating the H2 selectivity of MoS2 sensors through synergistic metal–non-metal co-doping
Zuxun Zhang, Lin Tao, Xin Quan, Mingyang Gu, Han Zhang, Baigang An, Lixiang Li
Topics & Concepts
SelectivityDensity functional theoryMaterials scienceChemical physicsHydrogenAdsorptionThermal stabilityFermi levelPopulationCrystal (programming language)Gibbs free energyDensity of statesBinding energyNanotechnologyThermalDiffusionHydrogen bondCrystal structurePhysical chemistryMolecular orbitalComputational chemistryFermi energyHybrid functionalEnergy (signal processing)Electronic structureOptoelectronicsSingle crystalMolecular dynamicsMolecular physics2D Materials and ApplicationsGas Sensing Nanomaterials and SensorsTransition Metal Oxide Nanomaterials