Elucidating hydrogen storage properties of two-dimensional siligraphene (SiC<sub>8</sub>) monolayers upon selected metal decoration
E. V. Anikina, Tanveer Hussain, В. П. Бескачко, Rajeev Ahuja
Abstract
DFT investigation of hydrogen (H<sub>2</sub>) adsorption on pristine and light metal decorated siligraphene SiC<sub>8</sub> showed that Ca@SiC<sub>8</sub> and Li@SiC<sub>8</sub> have promising thermodynamic properties and H<sub>2</sub> uptake, which surpasses the U.S. Department of Energy's 2025 goal.
Topics & Concepts
MonolayerMaterials scienceMetalHydrogen storageHydrogenAdsorptionPhysical chemistryInorganic chemistryCrystallographyChemical engineeringNanotechnologyMetallurgyChemistryOrganic chemistryAlloyEngineeringHydrogen Storage and MaterialsAmmonia Synthesis and Nitrogen ReductionAdvancements in Battery Materials