Environmentally hazardous gas sensing ability of MoS<sub>2</sub>-nanotubes: an insight from the electronic structure and transport properties
Nabajyoti Baildya, Narendra Nath Ghosh, Asoke P. Chattopadhyay
Abstract
The ability of the (6,6) MoS<sub>2</sub>-nanotube (NT) to sense environmentally hazardous electrophilic and nucleophilic gases using density functional theory (DFT).
Topics & Concepts
AdsorptionDensity functional theoryMonolayerMoleculeElectrophileCarbon nanotubeNanotubeToxic gasChemistryNanotechnologyNucleophileChemical engineeringMaterials scienceComputational chemistryPhysical chemistryOrganic chemistryCatalysisEnvironmental chemistryEngineering2D Materials and ApplicationsGas Sensing Nanomaterials and SensorsMXene and MAX Phase Materials