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First-principles study of (Ni, Pd, Au)-embedded VS2 monolayers for adsorption of CO, H2S, NO, NO2 and SO2

Long Lin, Linhao Han, Kun Xie, Chencheng Hu, Zhongzhou Dong

2022FlatChem21 citationsDOI

Topics & Concepts

Materials scienceAdsorptionMonolayerWork functionMoleculeDensity functional theoryStrain (injury)Chemical physicsComputational chemistryNanotechnologyPhysical chemistryChemistryLayer (electronics)Organic chemistryMedicineInternal medicineGas Sensing Nanomaterials and Sensors2D Materials and ApplicationsMXene and MAX Phase Materials
First-principles study of (Ni, Pd, Au)-embedded VS2 monolayers for adsorption of CO, H2S, NO, NO2 and SO2 | Litcius