Synthesis of TiO₂/graphene nanocomposites to enhance the energy storage and stability of sodium ion batteries:

• Synthesis of few-layer of graphene in a microwave plasma
• Synthesis of ultrafine anatase TiO₂ by spray-flame synthesis
• Formation of TiO₂-graphene nanocomposites using the wetphase strategy
• Investigate the performance of sodium-ion battery with a TiO₂-graphene nanocomposite anode

Rational Design of Transition Metal Complexes for the Catalytic Hydrogenation of Carbon Dioxide – A Synthetic, Spectroscopic and Quantum Theoretical Approach

• Investigation of iron, cobalt, and nickel complexes as catalysts in the reduction of carbon dioxide by hydrogen
• Spectroscopic characterization of reactive intermediates
• Quantum theoretical determination of the electronic properties, reaction barriers, and rate-determining steps
• Investigation of the influence of the ligand architecture on the reaction barriers to determine a structure/reactivity relationship
• Development of other more efficient catalysts based on the results obtained

Solvents at complex interfaces and as reaction media characterized by spectroscopic, structural and dynamic properties

• Understanding of pure ionic liquids (ILs) and mixtures: Simulation and analysis in order to gain detailed insight on the molecular level; Discovery and subsequent tuning of working principles by examining fundamental interactions, such as the solvent's (nano)structure in absence and presence of a solute, eventually leading to an increased performance
• Characterisation of different interfaces: Gain insight into the complex behavior of nanoparticles within highly structured liquids, e.g., the role of nanoparticles and their effect on physicochemical properties and orientation of the IL and how ILs affect the formation of nanoparticles during their synthesis; Examination of solid-liquid and liquid-vapor interfaces; Investigation of chemical reactions in ILs
• Development of the program TRAVIS for the analysis and visualization of MD trajectories: Implementation of new methods being able to characterize interfaces and the calculation of vibrational spectra, e.g., sum-frequency generation (SFG) spectra
• The results of the project should help to understand and suggest improved solvents for energy applications in the frame of homogeneous and heterogeneous catalytic processes

Investigation of the Liquid-Phase Synthesis of Methanol using IR- and Raman- in-situ Spectroscopy

• examine the effect of a solvent in methanol synthesis regarding temperature regulation, heat removal, catalyst stability and catalyst performance
• Utilization of IR- and Raman- immersion probes for in-situ reaction monitoring and sampling
• Kinetic and mechanistic measurements and calculations
• Compare results to the gas-phase process

A mechanistical study on reduction reactions of group 15 compounds with low valent group 13 organyls

• Syntheses and reactivity studies of group 13/15 compounds by using sterically demanding ligands
• Characterization of the compounds by using NMR and IR spectroscopy as well as single crystal x-ray diffractometry
• Performance of quantum chemical calculations to generate an impression of the electronic properties and comparison with the experimental data
• Investigations to understand the reaction mechanism via in situ NMR spectroscopy

Microwave plasma synthesis of graphene and its laser-optical in situ characterization

• Gas-phase synthesis of graphene by microwave plasma treatment
• Developing the spectroscopic and heat-transfer models of laser-heated graphene
• Implementing in-situ laser-optical diagnostics (Laser-Induced Incandescence, Laser-Induced Breakdown Spectroscopy, Laser Extinction) to investigate graphene formation process
• Evaluation of electrocatalytic properties of synthesized graphene and its performance in batteries

Low-Temperature Synthesis of Thermoelectric Group 14 and Group 15 Chalcogenide Nanoparticles by Thermal Decomposition of Tailor-Made Metal Organic Precursors (MOPs) in Ionic Liquids (ILs)

• Develop new reactive polynuclear IL precursors for the synthesis of phase pure nanomaterials of group 14 and group 15 chalcogenides (SnE, PbE, Sb₂E₃, Bi₂E₃, (Sb_xBi_1-x)₂E₃, (Bi_xSb_1-x)₂ (Te_ySe_1-y)₃; E = Se, Te)
• Incorporate heavy metal dopants (Ag, In, Tl) to improve TE properties
• Synthesize NPs using alternative ILs of promising cation/anion combinations to increase the solubility of MOPs and lower the binding affinity of the IL
• Characterization of NPs via PXRD, SEM, TEM, and EDX

• Larger iron-sulfur clusters are omnipresent in biological systems, but their electronic structure is not well understood
• Device models of the electronic structure of iron monomers and dimers to explain experimental spectra
• Extend the models from dimers to cubanes and the nitrogenase's FeMo-cofactor

Heterogenous Oxidation Catalysis in the Liquid Phase

• Development of single‐site catalysts based on metal‐organic frameworks (MOFs) containing well‐defined Co and Fe species within the pores of their framework structures.
• Synthesis of bimetallic Co/Fe oxide catalysts for the same reactions via the controlled thermal decomposition of bimetallic Co/Fe‐containing MOFs.
• Testing and optimization of reaction parameters in catalytic liquid‐phase oxidation reactions of secondary alcohols and cyclic olefins with developed catalyst materials.
• Development of a new in situ cell for the investigation of possible metal leaching during the catalytic reactions by using X-ray absorption spectroscopy (XAS).