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
Topics & Concepts
AdsorptionPhysisorptionDensity functional theoryMoleculeMaterials scienceChemical physicsLone pairConductivityChemistryPhysical chemistryComputational chemistryOrganic chemistryMXene and MAX Phase Materials2D Materials and ApplicationsGas Sensing Nanomaterials and Sensors