Functional materials based on inorganic nanoparticles have a greatapplication potential. Beyond the pure variation of the chemicalcomposition, the structure size opens new dimensions for the creationof unusual materials properties. Highly potent energy storagematerials, noble metal free catalysts, efficient semiconducting lightabsorbers and emitters, or biocompatible materials for medicaldiagnostics are just a few examples of the range of applications ofinorganic nanomaterials. Apart from the composition of the resultingprimary particles in the synthesis process, the morphology ofsecondary and tertiary structures determines the practical applicabilityof the materials. In order to influence and utilize these structure-basedproperties, highly specific synthesis routes are imperative. On thebasis of the primary nanoparticles, this facilitates the selective andreproducible adjustment of structure size, morphology, andstructurally defined materials combinations. To be able to producenanomaterials with the appropriate characteristics in industriallyrelevant quantities, the scalability of the processes must also beensured, and this is something for which the gas-phase synthesis isparticularly suitable. This is where the vision of the Research Unittakes effect. Based on the understanding of the elementary steps ofprecursor chemistry, particle formation, particle-particle interaction,and in situ functionalization, design rules for synthesis processes andreactors are developed and demonstrated. These enable a targetedsynthesis, modification, and structuring of nanoparticles in the gasphase. Two materials systems are examined as an example –composites based on iron and iron oxide nanoparticles and structuredsilicon particles and nanocomposites. As the focus of the ResearchUnit is on the combination of analysis, modeling, and simulation,materials and processes are sequentially investigated with anincrease in complexity. Thus, at every intermediate stage, feedbackwith the experiment and validation of the simulations and design rulescan be ensured. The project opens up the producibility of newmaterial variations as well as being aimed at the development ofscalable processes and research-based, validated simulationmethods. These are essential foundations for a reliable use of highlyspecific functional nanoparticle ensembles and their industrialapplication.

The Research Unit investigates the potential of using combustion engines to achieve a flexible and simultaneous conversion of fuel to chemicals and different forms of energy along high temperature paths. The produced base chemicals can either be used in chemical industry or, due to their high energy density, for storing energy. The project draws on the considerable amount of knowledge gained from combustion science with respect to the experimental and theoretical investigation of high-temperature processes. However, instead of promoting complete combustion and reducing concentrations of other chemical components in the exhaust gases, the aim is now to identify useful chemicals and increase their concentrations under exergetically sound conditions. The strategy is guided by theory and experimental verification. In the basic-theory part, elementary kinetics reaction models are developed, the thermodynamics of the conversion are investigated and mathematical optimisation is used to find promising paths for efficient conversion. In the basic validation part, chemical kinetics experiments under well-defined conditions are conducted in order to improve and validate the predictive theoretical basis. Finally, in the machines-motors section (piston) engines are used to prove the concept of flexible chemical and energy conversion with small irreversibilities. The quality of the chemicals and conversion processes will be judged holistically by analysing the exergy (availability) balances. Making exergy the decision criterion to judge the quality of a process is a clear deviation from prior work in this field with the traditional aim of improving conversion efficiencies and reducing pollutants. Flexible machines could be used to provide base chemicals or to store available energy in form of chemical compounds. The concept could contribute to securing the energy supply for the future.

A future sustainable energy system based on hydrogen is inevitable and the generation of this energy carrier will be definitely achieved by electrolysis. The oxygen evolution in the course of water electrolysis represents still a challenge which consumes a significant amount of electric power due to high overpotentials. Alternative anodic conversions which do not liberate dioxygen but serve as useful and significant anodic transformations represent an innovative solution. For this aim, two different approaches are pursued: The development and establishing of electrochemical oxidation reactions with a high impact and technical relevance. Among others, the anodic functionalization of methane, the oxidation of alcohols, specifically glycerol under formation of e.g. lactic acid, the oxidation of hydroxymethylfurfural to the renewable platform chemical 2,5-furan dicarboxylic acid, as well as the oxidation of amines to amine-N-oxides represent such challenging oxidative conversions. An alternative approach will anodically generate oxidizing equivalents which can later on be exploited to a variety of chemical applications. This strategy avoids the selectivity issues of rather complex molecules at the anode. In addition, it will establish a general route which opens up multipurpose applications and compensate fluctuations in the electric current consumptions since these oxidizers can be stored. In order to tackle these challenges in a knowledge-driven way, important tools of investigation such as operando electrochemistry/spectroscopy and the influence of the electrode morphology will be addressed. This research unit will bridge the gap from fundamentals of organic electrochemistry and electrocatalysis to prep-type electrolysis including initial steps to upscaling.