Fullerene-impregnated IRMOFs for balanced gravimetric and volumetric H2 densities: A combined DFT and GCMC simulations study
Suye Yu, Guoliang Jing, Xuehua Zhou, Zhifang Li, Wenqian Zhang, Xin Ju
Topics & Concepts
Gravimetric analysisThermogravimetric analysisHydrogen storageDensity functional theoryVolume (thermodynamics)Materials scienceSaturation (graph theory)ChemistryHydrogenThermodynamicsComputational chemistryOrganic chemistryPhysicsCombinatoricsMathematicsMetal-Organic Frameworks: Synthesis and ApplicationsPhase Equilibria and ThermodynamicsInorganic Fluorides and Related Compounds