Adsorption Behavior of Ni-Doped ZnO Monolayer upon SF<sub>6</sub> Decomposed Components and Effect of the Applied Electric Field
Min Liu
Abstract
) obtained as -2.38 and -2.19 eV, respectively. The electronic properties of the Ni-ZnO monolayer upon gas adsorption are studied through the density-of-state (DOS) analysis, whereas the band structure (BS) and work function (WF) analysis provide the sensing mechanism of the Ni-ZnO monolayer upon two gases. In addition, the charge-transfer behavior during adsorption in the applied electric fields is analyzed to expound the possibility of Ni-ZnO monolayer as a field-effect-transistor gas sensor. Our calculations can stimulate the study on adsorption and sensing behaviors of TM-ZnO monolayers for their applications in many fields.
Topics & Concepts
AdsorptionMonolayerMaterials scienceDopingElectric fieldChemical engineeringAnalytical Chemistry (journal)Physical chemistryNanotechnologyChemistryOptoelectronicsPhysicsOrganic chemistryEngineeringQuantum mechanicsGraphene research and applicationsMolecular Junctions and NanostructuresCatalytic Processes in Materials Science