DFT insights into the adsorption mechanisms of environmental gases on 2H-WTe₂ for potential sensing applications
Saleh S. Alarfaji, Niaz Ahmad, Swera Khalid, Farooq Aziz, Tahir Iqbal, Muhammad Isa Khan
Topics & Concepts
PhysisorptionChemisorptionAdsorptionDensity functional theoryWork functionDesorptionTransition metalMetalChemistryAtomic orbitalChemical engineeringMoleculeChemical physicsMaterials scienceAtom (system on chip)Physical chemistryNanotechnologyMolecular orbitalComputational chemistryWork (physics)Binding energyAnalytical Chemistry (journal)Chemical stabilityInorganic chemistryDensity of states2D Materials and ApplicationsGas Sensing Nanomaterials and SensorsAdvanced Thermoelectric Materials and Devices