Enhanced reversible hydrogen storage performance of Mg-decorated g-C2N: First principles calculations
Xilong Dou, Peng Gao, Gang Jiang, Jiwen Li, Xiaogang Tong, Yuebin Tan
Topics & Concepts
Hydrogen storageDensity functional theoryElectronegativitySupercellGravimetric analysisAdsorptionMoleculeHydrogenChemical physicsMaterials scienceElectronic structureDopingNanotechnologyChemistryComputational chemistryPhysical chemistryOrganic chemistryPhysicsOptoelectronicsThunderstormMeteorologyHydrogen Storage and MaterialsBoron and Carbon Nanomaterials ResearchMXene and MAX Phase Materials