Objective 1Design of model nanocatalysts via an unique combination of experimental and theoretical tools. Use of a combination of theoretical and experimental tools based on ultra high vacuum (UHV) technologies for the development of highly controlled model systems. These results, in which the number of experimental variables is greatly reduced, will provide fundamental information that can be used as guidelines not only for the scaling of catalysts, but also for understanding their behavior in artificial photosynthesis reactions.
Objective 2Development of multifunctional catalysts to efficiently and selectively carry out the reduction and oxidation reactions involved in artificial photosynthesis processes (photo and photoelectrocatalytic).
Synthesis of materials using objective 1 data to be evaluated in the different artificial photosynthesis reactions (objective 5).
Objective 3Multifunctional nanocarbon fibres, where research will be carried out in the development of flexible photoelectrodes combining different hybrid tissues of CNT and processes of chemical and physical functionalization. Preparation of multifunctional flexible photoelectrodes combining different CNT hybrid tissues and chemical and physical functionalization processes that enhance photogeneration and load transfer.
Objective 4Study of the structure-reactivity relationship by combining advanced theoretical and characterization tools.
Advance in the knowledge of the relationship between the physical and chemical properties of the proposed catalysts together with the simultaneous monitoring of their activity in reaction. This information is essential both for the design of the active center and for the optimization of the catalytic processes of future materials. To do this, it is necessary to understand that these types of processes are developed on timescales from femtoseconds to second, Therefore, in order to understand the reaction mechanisms in a global way, it is necessary to combine these techniques in situ and operating with theoretical calculations.
Objective 5Artificial photosynthesis through the development of photocatalytic and photoelectrocatalytic processes to obtain fuels and chemicals.
Evaluation of the activity of materials synthesized in Objectives 2 and 3 in artificial photosynthesis reactions for the production of fuels and chemicals.
Results obtained in this objective are compared with data from objective 4 to provide feedback for the synthesis of optimized materials following a self-consistent process.
Objective 6Prospective techno-economic and sustainability analysis.
To assess the techno-economic feasibility as well as the environmental and social suitability of the proposed artificial photosynthesis based systems taking into account their industrial scale.