Highly efficient hydrogen storage of a Sc decorated biphenylene monolayer near ambient temperature: <i>ab initio</i> simulations
Mukesh Singh, Alok Shukla, Brahmananda Chakraborty
Abstract
The energy demands for the growing development of society need to be met with alternative and green fuels like hydrogen energy for a lasting and sustainable culture.
Topics & Concepts
Hydrogen storageChemistryBiphenyleneGravimetric analysisAb initioBinding energyDensity functional theoryDesorptionCrystallographyPhysical chemistryHydrogenComputational chemistryAtomic physicsPhysicsAdsorptionOrganic chemistryPolymerPhenyleneHydrogen Storage and MaterialsAdvanced Chemical Physics StudiesAmmonia Synthesis and Nitrogen Reduction