FAST MOLECULAR WOCS

Fast Molecular WOCs

Coordinatore	THE PROVOST, FELLOWS, FOUNDATION SCHOLARS & THE OTHER MEMBERS OF BOARD OF THE COLLEGE OF THE HOLY & UNDIVIDED TRINITY OF QUEEN ELIZABETH NEAR DUBLIN    more  Organization address address: College Green - city: DUBLIN postcode: 2 contact info Titolo: Ms. Nome: Deirdre Cognome: Savage Email: send email Telefono: +353 1 8961942 Fax: 35317071633
Nazionalità Coordinatore	Ireland [IE]
Totale costo	100˙000 €
EC contributo	100˙000 €
Programma	FP7-PEOPLE Specific programme "People" implementing the Seventh Framework Programme of the European Community for research, technological development and demonstration activities (2007 to 2013)
Code Call	FP7-PEOPLE-2012-CIG
Funding Scheme	MC-CIG
Anno di inizio	2013
Periodo (anno-mese-giorno)	2013-04-01   -   2017-03-31

 Partecipanti

#	participant	country	role	EC contrib. [€]
1	THE PROVOST, FELLOWS, FOUNDATION SCHOLARS & THE OTHER MEMBERS OF BOARD OF THE COLLEGE OF THE HOLY & UNDIVIDED TRINITY OF QUEEN ELIZABETH NEAR DUBLIN  Organization address address: College Green - city: DUBLIN postcode: 2 contact info Titolo: Ms. Nome: Deirdre Cognome: Savage Email: send email Telefono: +353 1 8961942 Fax: 35317071633	IE (DUBLIN)	coordinator	100˙000.00

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 Obiettivo del progetto (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.'