Atomistic and electronic structure of metal clusters supported on transition metal carbides: implications for catalysis
Hèctor Prats, Michail Stamatakis
Abstract
Several materials composed of metal nanoclusters supported on transition metal carbides (TMCs) are studied via density functional theory, in view of the promising catalytic properties demonstrated experimentally for selected TMC–metal combinations.
Topics & Concepts
NanoclustersCarbideTransition metalMaterials scienceMetalCatalysisDensity functional theoryChemical physicsElectronic structureNanotechnologyCrystallographyComputational chemistryChemistryMetallurgyOrganic chemistryCatalytic Processes in Materials ScienceNanocluster Synthesis and Applicationsnanoparticles nucleation surface interactions