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The adsorption and sensing mechanism of toxic gases HCN, NO2, NH3 and Cl2 on Mo, Ag-modified WSe2 monolayer: Insights from the first-principles computations

Sihan Cheng, Jinghao Chen, Wen Zeng, Qu Zhou

2023Materials Today Communications38 citationsDOI

Topics & Concepts

MonolayerAdsorptionChemisorptionMaterials scienceDopingMoleculeDensity functional theoryChemical physicsComputational chemistryPhysical chemistryPhotochemistryNanotechnologyChemistryOrganic chemistryOptoelectronics2D Materials and ApplicationsGas Sensing Nanomaterials and SensorsMXene and MAX Phase Materials
The adsorption and sensing mechanism of toxic gases HCN, NO2, NH3 and Cl2 on Mo, Ag-modified WSe2 monolayer: Insights from the first-principles computations | Litcius