HCOOH Decomposition on Sub-Nanometer Pd6 Cluster Catalysts: The Effect of Defective Boron Nitride Supports Through First Principles
Roberto Schimmenti, Manos Mavrikakis
Topics & Concepts
DehydrogenationCluster (spacecraft)CatalysisChemistryDecompositionDensity functional theoryBoron nitrideAdsorptionBoronChemical physicsPhotochemistryInorganic chemistryComputational chemistryPhysical chemistryOrganic chemistryProgramming languageComputer scienceCarbon dioxide utilization in catalysisCatalytic Processes in Materials ScienceCatalysis and Oxidation Reactions