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Adsorption of toxic and harmful gas NO2 and SO2 on TM (Fe, Co and Ni) modified ZrSe2 monolayer: A DFT study

Bei Zhang, Kui Liu, Kun Xie, Pengtao Wang, Long Lin, Linlin Su

2024Materials Today Communications23 citationsDOI

Topics & Concepts

MonolayerMaterials scienceAdsorptionToxic gasChemical engineeringEnvironmental chemistryPhysical chemistryNanotechnologyChemistryEngineering2D Materials and ApplicationsAmmonia Synthesis and Nitrogen ReductionMXene and MAX Phase Materials
Adsorption of toxic and harmful gas NO2 and SO2 on TM (Fe, Co and Ni) modified ZrSe2 monolayer: A DFT study | Litcius