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Ab initio prediction and characterization of Hf2CO2 monolayer as a promising adsorbent to capture toxic AsH3 gas

Shuhong Ma, Yiran Wang, Yaqiang Ma, Yipeng An, Zhaoyong Jiao

2020Applied Surface Science26 citationsDOI

Topics & Concepts

MonolayerPhysisorptionAdsorptionArsineAb initioMoleculeChemistryBinding energyDensity functional theoryComputational chemistryMaterials sciencePhysical chemistryChemical engineeringNanotechnologyCatalysisOrganic chemistryPhysicsAtomic physicsPhosphineEngineeringMXene and MAX Phase Materials2D Materials and ApplicationsBoron and Carbon Nanomaterials Research
Ab initio prediction and characterization of Hf2CO2 monolayer as a promising adsorbent to capture toxic AsH3 gas | Litcius