First-principles study of Ni/Cu doped Janus ZrSSe monolayers for selective and high-affinity sensing of industrial pollutant gases
Zinah H. Obaid, Lafy F. Al-Badry
Topics & Concepts
AdsorptionMonolayerChemistryJanusMoleculeDopingSensitivity (control systems)Density functional theoryPollutantChemical engineeringNanotechnologyAnalytical Chemistry (journal)Binding energySelective adsorptionAir pollutantsComputationSelectivityPhotochemistryInorganic chemistryBand gapCharacterization (materials science)2D Materials and ApplicationsGas Sensing Nanomaterials and SensorsAdvanced Thermoelectric Materials and Devices