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First-principles prediction of Mg decoration on monolayer g-C6N7 as a promising a hydrogen storage media

Ningning Zhang, Zhen‐Guo Fu, Xiaohui Wang, Xin-Peng Fu, Hong Yuan, Yong-Ting Shi, Ping Zhang, Ping Zhang

2023International Journal of Hydrogen Energy27 citationsDOI

Topics & Concepts

MonolayerHydrogen storageGravimetric analysisAdsorptionChemistryMoleculeHydrogenAtom (system on chip)Density functional theoryBinding energyHydrogen atomPhysical chemistryComputational chemistryOrganic chemistryAtomic physicsPhysicsBiochemistryAlkylEmbedded systemComputer scienceHydrogen Storage and MaterialsBoron and Carbon Nanomaterials ResearchMXene and MAX Phase Materials
First-principles prediction of Mg decoration on monolayer g-C6N7 as a promising a hydrogen storage media | Litcius