DFT-Assisted Spectroscopic Studies on the Coordination of Small Ligands to Palladium: From Isolated Ions to Nanoparticles
Sebastiano Campisi, Cameron Beevers, Ali Nasrallah, C. Richard A. Catlow, Carine E. Chan‐Thaw, Maela Manzoli, Nikolaos Dimitratos, David J. Willock, Alberto Roldán, Alberto Villa
Abstract
ions could be inferred on the basis of spectroscopic evidences, which was corroborated by theoretical simulations, which confirmed the preferential coordination of aminopropanol through the NH group. This interaction seems to potentially cause the aminopropanol ligand to control the particle shape through a selective blocking of Pd(100) facets, which promote the growth on the Pd(111) facets.
Topics & Concepts
PalladiumFourier transform infrared spectroscopyNanoparticlePropanediolLigand (biochemistry)Metal ions in aqueous solutionChemistryMetalIonCoordination complexCrystallographyMaterials scienceNanotechnologyChemical engineeringOrganic chemistryCatalysisEngineeringBiochemistryReceptorElectrochemical Analysis and ApplicationsNanomaterials for catalytic reactionsNanocluster Synthesis and Applications