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Lithium and phosphorus-functionalized graphitic carbon nitride monolayer for efficient hydrogen storage: A DFT study

Deepak Kumar Gorai, Tarun Kumar Kundu

2023Journal of Molecular Graphics and Modelling10 citationsDOI

Topics & Concepts

Graphitic carbon nitrideMonolayerLithium (medication)Hydrogen storageDensity functional theoryAdsorptionHydrogenNitrideHOMO/LUMOCarbon fibersMaterials scienceChemistryInorganic chemistryComputational chemistryPhysical chemistryNanotechnologyMoleculeLayer (electronics)Organic chemistryCatalysisPhotocatalysisEndocrinologyComposite materialComposite numberMedicineHydrogen Storage and MaterialsAmmonia Synthesis and Nitrogen ReductionMXene and MAX Phase Materials
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