A theoretical study of the stability and electronic properties of GenRu (n = 2–10) clusters and their sensitivity toward SO2 adsorption
Abdel‐Ghani Boudjahem, Mouhssin Boulbazine, Meryem Derdare
Topics & Concepts
ChemistryChemisorptionAdsorptionMoleculeWork functionDensity functional theoryAtom (system on chip)HOMO/LUMOChemical physicsElectronic structureComputational chemistryPhysical chemistryOrganic chemistryComputer scienceElectrodeEmbedded systemMolecular Junctions and NanostructuresNanocluster Synthesis and ApplicationsInorganic Chemistry and Materials