Density functional theory study on hydrogen storage capacity of yttrium decorated graphyne nanotube
Yang Liu, Fang Lu, Shuxi Gao, Huahong Shi, Yuliang Mai, Lei Zhang, Yongqiang Dai, Bing Liao, Wei Hu
Topics & Concepts
GraphyneHydrogen storageYttriumAdsorptionDensity functional theoryNanotubeMaterials scienceMoleculeHydrogenBinding energyNanotechnologyChemical physicsComputational chemistryChemistryPhysical chemistryAtomic physicsCarbon nanotubeOrganic chemistryPhysicsMetallurgyOxideHydrogen Storage and MaterialsAdvancements in Battery MaterialsSupercapacitor Materials and Fabrication