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IMAGE: Analysis of a cerium oxide catalyst using carbon monoxide probe molecules and infra-red reflection absorption spectroscopy. view more
Credit: (Figure: IFG/KIT)
Catalysts are indispensable for many technologies. To further improve heterogeneous catalysts, it is required to analyze the complex processes on their surfaces, where the active sites are located. Scientists of Karlsruhe Institute of Technology (KIT), together with colleagues from Spain and Argentina, have now reached decisive progress: As reported in
Physical Review Letters, they use calculation methods with so-called hybrid functionals for the reliable interpretation of experimental data. (DOI: 10.1103/PhysRevLett.125.256101).
Many important technologies, such as processes for energy conversion, emission reduction, or the production of chemicals, work with suitable catalysts only. For this reason, highly efficient materials for heterogeneous catalysis are gaining importance. In heterogeneous
Catalyst Research: Molecular Probes Require Highly Precise Calculations
Scientists of KIT Use Advanced Methods with Hybrid Functionals for Analysis of Active Sites – Publication in Physical Review Letters
Analysis of a cerium oxide catalyst using carbon monoxide probe molecules and infra-red reflection absorption spectroscopy. (Figure: IFG/KIT)
Catalysts are indispensable for many technologies. To further improve heterogeneous catalysts, it is required to analyze the complex processes on their surfaces, where the active sites are located. Scientists of Karlsruhe Institute of Technology (KIT), together with colleagues from Spain and Argentina, have now reached decisive progress: As reported in Physical Review Letters, they use calculation methods with so-called hybrid functionals for the reliable interpretation of experimental data. (DOI: 10.1103/PhysRevLett.125.256101).