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Catalyst research: molecular probes require highly precise calculations

 E-Mail 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

KIT - KIT - Media - Press Releases - PI 2020 - Catalyst Research: Molecular Probes Require Highly Precise Calculations

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).

DFG to fund 20 new collaborative research centers

 E-Mail The Deutsche Forschungsgemeinschaft (DFG, German Research Foundation) is establishing 20 new Collaborative Research Centres (CRC) to further support top-level research at universities. This was decided by the relevant Grants Committee, which met by video conference due to the coronavirus pandemic. The new CRCs will receive a total of approximately €254 million for an initial period of four years beginning 1 January 2021. This includes a 22 percent programme allowance for indirect project costs. Three of the new networks are CRC/Transregios (TRR), which are distributed across multiple applicant universities. In addition to the 20 new groups, the Grants Committee also approved the extension of 25 existing CRCs for an additional funding period, including 10 CRC/Transregios. Collaborative Research Centres enable researchers to tackle innovative, complex and long-term research projects within the network, thereby supporting the further development of core areas and structures

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