Hydrogen storage in Li decorated and defective pentaoctite phosphorene: A density functional theory study
Sandip Haldar
Topics & Concepts
PhosphoreneDensity functional theoryHydrogen storageVacancy defectBinding energyHydrogenMoleculeMaterials scienceChemical physicsAtom (system on chip)ChemistryComputational chemistryCrystallographyAtomic physicsBand gapPhysicsOrganic chemistryEmbedded systemComputer scienceOptoelectronicsMXene and MAX Phase MaterialsHydrogen Storage and MaterialsAdvanced Photocatalysis Techniques