Enhancement of CO adsorption energy on defective graphene-supported Cu13 cluster and prediction with an induction energy model
Delu Gao, Shenyan Rao, Yueru Li, Naigui Liu, Dunyou Wang
Topics & Concepts
GrapheneAdsorptionCluster (spacecraft)Ab initioMolecular dynamicsMaterials scienceChemical physicsAb initio quantum chemistry methodsInteraction energyPopulationComputational chemistryMolecular orbitalPhysical chemistryChemistryMoleculeNanotechnologyOrganic chemistryComputer scienceProgramming languageDemographySociologyCatalytic Processes in Materials Sciencenanoparticles nucleation surface interactionsNanocluster Synthesis and Applications