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Project Details

Institution

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Universität Duisburg-Essen
Fakultät für Physik
Arbeitsgruppe Computational Physics of Quantum and Energy Materials

Address Lotharstraße 1
47057 Duisburg
Deutschland

GERiT This institution in GERiT

47057 Duisburg

Projects

Research Grants
- Completed projects
  - A density-functional theory study on the influence of the oxygen pressure and temperature on the steichiometry and properties of metaloxide surfaces considering as example: magnetite Fe3O4(001)
    (Applicant Pentcheva, Rossitza )
  - Magnetism and microstructure: from the nanometre to the planetary scale (MICROMAGN) (FP 13)
    (Applicant Pentcheva, Rossitza )
Major Research Instrumentation
- Completed projects
  - Paralleler Hochleistungsrechner für Hauptspeicher-intensive Anwendungen
CRC/Transregios
- Current projects
  - Integrated Research Training Group UnOCat (Understanding Oxidation Catalysts)
    (Project Heads Muhler, Martin ; Pentcheva, Rossitza ; Schuhmann, Wolfgang )
  - Theoretical Understanding and Trends in Reactivity of Transition Metal Oxides: Role of Structural Patterns and Control of Electronic State
    (Project Head Pentcheva, Rossitza )
- Completed projects
  - Interface Induced Electronic States in Correlated Matter
    (Project Heads Gegenwart, Philipp ; Pentcheva, Rossitza )
  - Thermoelectric Properties of Transition-Metal Oxide Thin Films and Superlattices
    (Project Heads Eckern, Ulrich ; Keimer, Bernhard ; Pentcheva, Rossitza )
Priority Programmes
- Completed projects
  - Magnetic, Electronic and Structural Transitions in Iron Bearing Minerals under Pressure: Theory and Experiment
    (Applicant Pentcheva, Rossitza )
  - Metal oxide nanostructures for electrochemical and photoelectrochemical water splitting
    (Applicants Bein, Thomas ; Fattakhova-Rohlfing, Dina ; Pentcheva, Rossitza ; Scheu, Christina )
Collaborative Research Centres
- Current projects
  - Coupling between structural and electronic excitations: an ab-initio investigation
    (Project Heads Gruner, Markus ; Pentcheva, Rossitza )
International Research Training Groups
- Current projects
  - GRK 2803: Scalable 2D-Materials Architectures (2D-MATURE): Synthesis and Processing, Characterization and Functionality, Implementation and Demonstration
    (Spokesperson Bacher, Gerd )
NFDI technical and methodological consortia
- Current projects
  - FAIRmat – FAIR Data Infrastructure for Condensed-Matter Physics and the Chemical Physics of Solids
    (Spokesperson Draxl, Claudia )

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