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Effect of surface functional group over tungsten carbide MXene for efficient NH3 gas sensing using density functional theory

Rahul K. Choudhury, B.R. Bhagat, Kishan H. Mali, Rushikesh Pokar, Alpa Dashora

2022Applied Surface Science45 citationsDOI

Topics & Concepts

AdsorptionPhysisorptionDensity functional theoryMoleculeMaterials scienceChemical physicsLone pairConductivityChemistryPhysical chemistryComputational chemistryOrganic chemistryMXene and MAX Phase Materials2D Materials and ApplicationsGas Sensing Nanomaterials and Sensors
Effect of surface functional group over tungsten carbide MXene for efficient NH3 gas sensing using density functional theory | Litcius