DFT study on the adsorption and sensing of SF6 byproducts (SO2F2, SO2, SOF2, H2S, and HF) using Sc and Ti decorated BC6N monolayers
Hamza Ahmad, Yuhuai Liu, Basheer Ahmed Kalwar, Zaheer Ahmed, M.I. Khan, Muhammad Abdullah, Fang Wang
Topics & Concepts
MonolayerAdsorptionChemistryDensity functional theoryChemical physicsMaterials scienceNanotechnologyCrystallographyComputational chemistryPhysical chemistryMXene and MAX Phase MaterialsGas Sensing Nanomaterials and Sensors2D Materials and Applications