Objective
This proposal focuses on a cutting-edge approach to the development of the next generation of molecular water oxidation catalysts (WOCs). Artificial water splitting is as an essential technology because it allows for the conversion of abundant solar energy and H2O to the carbon-neutral fuels O2 and H2. However, artificial water splitting technologies have been impeded by slow WOCs. To date, an unsystematic approach to designing WOCs has been taken. No attention has been directed towards how the intrinsic properties of the catalyst, such as oxidation state, spin state, d-electron count, and ligand field affect the catalytic activity. Additionally, the factors that affect O-O bond formation, the most demanding step in water oxidation catalysis, are poorly understood. Our key goals are to utilise a first principles, bottom-up approach to water oxidation catalyst design to develop the next generation of fast molecular WOCs. Specifically, we propose:
1) To develop a family of ML complexes (M = Mn, Fe, Co, Ru) utilising ligands (L) that enforce octahedral, trigonal bipyramidal, and tetrahedral ligand fields; 2) To apply the family of ML complexes as WOCs in order to gauge how oxidation state, spin state, d-electron count, and ligand field, affect the catalytic activity; 3) To carry out detailed mechanistic investigations into O-O bond formation using the ML complexes.
The CIG grant will play a major role for the applicant in his transition from an early career researcher to an independent, established European scientist with a higher research profile.The CIG will be the principle source of funding for lab supplies, equipment and travel for the researcher's new group, and salary for the applicant, and two young researchers. The CIG will allow the applicant to more quickly attract other research grants and thus to contribute to EU research output. The CIG grant will thus provide the candidate with the launchpad for an independent career of scientific excellence in the EU.
Fields of science
Call for proposal
FP7-PEOPLE-2012-CIG
See other projects for this call
Coordinator
D02 CX56 DUBLIN 2
Ireland