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Adsorption and work function type sensing of SF6 decompositions (SO2, SOF2, SO2F2, H2S and HF) based on Fe and Cu decorated B4CN3 monolayer. A first-principles study

Hamza Ahmad, Xianshan Li, Basheer Ahmed Kalwar, Xinyu Tan, Muhammad Rafique Naich

2024Chemical Physics21 citationsDOI

Topics & Concepts

ChemistryMonolayerAdsorptionWork functionChemical physicsFunction (biology)Computational chemistryCrystallographyPhysical chemistryBiochemistryEvolutionary biologyBiologyElectrodeMXene and MAX Phase MaterialsBoron and Carbon Nanomaterials Research2D Materials and Applications
Adsorption and work function type sensing of SF6 decompositions (SO2, SOF2, SO2F2, H2S and HF) based on Fe and Cu decorated B4CN3 monolayer. A first-principles study | Litcius