HTFORTCOS

A High-Throughput Computational Search for New Transparent Conducting Oxides

 Coordinatore 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

 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

Mappa


 Word cloud

Esplora la "nuvola delle parole (Word Cloud) per avere un'idea di massima del progetto.

theory    electronic    materials    tco    experimental   

 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.'

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