Insights of Ti-doping on the hydrogen adsorption properties of the 2D-BeN4 monolayer: A density functional investigation
Chaithanya Purushottam Bhat, Debashis Bandyopadhyay
Topics & Concepts
MonolayerAdsorptionDopingDensity functional theoryHydrogenMaterials scienceChemical physicsChemistryPhysical chemistryChemical engineeringComputational chemistryNanotechnologyOrganic chemistryOptoelectronicsEngineeringHydrogen Storage and MaterialsMXene and MAX Phase MaterialsBoron and Carbon Nanomaterials Research