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SFB 1109:  Understanding of Oxide/Water Systems at the Molecular Scale: Structural Evolution, Interfaces and Dissolution

Subject Area Chemistry
Term from 2014 to 2018
Project identifier Deutsche Forschungsgemeinschaft (DFG) - Project number 234149247
 
Materials based on metal oxides are of crucial importance for a multitude of present and emerging technical and consumer applications. In such applications, ranging from medical implants to surface coatings and construction materials, metal oxides are very often in contact with water during use and typically they are also produced from aqueous solution. Thus, a comprehensive understanding of the metal oxide/water interactions on the molecular level is indispensable for the design of oxides with desirable properties and for ensuring the stability of these materials over time (i.e. resistance to degradation and corrosion) but is has not been reached yet. It requires collaborative research efforts with consideration of a large width concerning water amount and oxide complexity, ranging from individual molecules, clusters and nanoparticles to extended crystalline and amorphous bulk materials. This profound multi-scale nature of metal oxide/water chemistry poses major challenges - also methodologically - that our CRC accepts and with focus on certain representative oxides aims at a complete description of the formation and dissolution processes within the CRC run-time. To investigate the different stages of oxide assembly and dissolution the CRC employs combinations of state-of-the-art methods in theory, chemical synthesis, microscopy and spectroscopy, including time-resolved in-situ spectroscopy. In the first funding period the CRC has focussed on the investigation of the initial stages of oxide formation, interactions of model surfaces with small amounts of water, the generation and behaviour of defect sites, nucleation and crystallisation, and on the evaluation of the potential of molecular compounds as well as two dimensional films as models for more aggregated structures. In the second funding period we will further pursue this research and issues raised by our results, extending it, for instance, by investigations to further deepen our understanding of the mechanisms by which the structures of metal oxides at all length scales (molecules, clusters, steps on surfaces) are formed and dissolved. Non-local effects will explicitly be considered, which on the side of the oxide will include phase transformation and the development of electronic structure with size. On the side of the water these effects will be considered by increasing the numbers of water molecules in surface studies as well as by exploring the influence of solute ions, thus strengthening the connection to natural systems. To reach our goals, also the further development of our methods will play an important role. The CRC clearly aims at fundamental insights. However, the obtained knowledge will also pave the way for the rational synthesis of metal oxides with predetermined properties on demand and provide access to compositionally or structurally novel materials.
DFG Programme Collaborative Research Centres

Completed projects

Applicant Institution Humboldt-Universität zu Berlin
 
 

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