Hydrogen adsorption on Li decorated graphyne-like carbon nanosheet: A density functional theory study
Yang Liu, Shuxi Gao, Fang Lu, An Yu, Senchuan Song, Huahong Shi, Yuliang Mai, Bing Liao
Topics & Concepts
GraphyneBinding energyNanosheetHydrogenDensity functional theoryChemistryAdsorptionAb initioAb initio quantum chemistry methodsChemical physicsMoleculePhysical chemistryAtomic physicsComputational chemistryPhysicsOrganic chemistryHydrogen Storage and MaterialsGraphene research and applicationsMuon and positron interactions and applications