HTFORTCOS

A High-Throughput Computational Search for New Transparent Conducting Oxides

Coordinatore	UNIVERSITE CATHOLIQUE DE LOUVAIN    more  Organization address address: Place De L'Universite 1 city: LOUVAIN LA NEUVE postcode: 1348 contact info Titolo: Prof. Nome: Xavier Cognome: Gonze Email: send email Telefono: +32 10 47 20 76 Fax: +32 10 47 31 02
Nazionalità Coordinatore	Belgium [BE]
Totale costo	75˙000 €
EC contributo	75˙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	2012
Periodo (anno-mese-giorno)	2012-08-01   -   2015-07-31

 Partecipanti

#	participant	country	role	EC contrib. [€]
1	UNIVERSITE CATHOLIQUE DE LOUVAIN  Organization address address: Place De L'Universite 1 city: LOUVAIN LA NEUVE postcode: 1348 contact info Titolo: Prof. Nome: Xavier Cognome: Gonze Email: send email Telefono: +32 10 47 20 76 Fax: +32 10 47 31 02	BE (LOUVAIN LA NEUVE)	coordinator	75˙000.00

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 Obiettivo del progetto (Objective)

'Transparent conducting oxides (TCO) are materials exhibiting the unusual combination of transparency in the visible range and high electrical conductivity. These materials are essential to many technological applications (e.g., photovoltaics, low-emission windows, touch screens...). Important experimental efforts are currently focused at finding cheaper and better performing alternatives to the currently used TCO materials. This experimental process can however be very time consuming as the chemical space to explore is rather large. On the other hand, many of the relevant properties (e.g., optical absorption, electronic mobility, dopability,...) can be nowadays evaluated by first principles computations. This offers up the possibility to accelerate the TCO discovery process by computationally searching, on a large scale, new TCO compounds using available electronic structure techniques such as density functional theory and many-body perturbation theory in the GW framework. While such approach will be used to directly search for new TCO materials, the large data set generated will also be used to enhance the fundamental understanding of the relation between materials factors at the atomic scale and the relevant TCO properties, helping therefore the materials design process.'