Density functional theory study of palladium cluster adsorption on a graphene support
Riaz Hussain, Muhammad Saeed, Muhammad Yasir Mehboob, Saif Ullah Khan, Muhammad Usman Khan, Muhammad Adnan, Mahmood Ahmed, Javed Iqbal, Khurshid Ayub
Abstract
The geometric, thermodynamic and electronic properties of Pd–graphene nanocomposites are comprehensively studied through quantum mechanical methods.
Topics & Concepts
CoroneneDensity functional theoryGrapheneIonization energyHOMO/LUMOBinding energyCluster (spacecraft)Electron affinity (data page)AdsorptionMaterials scienceChemical physicsPhysical chemistryChemistryComputational chemistryMoleculeAtomic physicsIonizationNanotechnologyPhysicsOrganic chemistryProgramming languageIonComputer scienceGraphene research and applicationsNanomaterials for catalytic reactionsCatalytic Processes in Materials Science