COMPOREL

Large-Scale Computational Screening and Design of Highly-ordered pi-conjugated Molecular Precursors to Organic Electronic

Coordinatore	ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE    more Spiacenti, non ci sono informazioni su questo coordinatore. Contattare Fabio per maggiori infomrazioni, grazie.
Nazionalità Coordinatore	Switzerland [CH]
Totale costo	1˙482˙240 €
EC contributo	1˙482˙240 €
Programma	FP7-IDEAS-ERC Specific programme: "Ideas" implementing the Seventh Framework Programme of the European Community for research, technological development and demonstration activities (2007 to 2013)
Code Call	ERC-2012-StG_20111012
Funding Scheme	ERC-SG
Anno di inizio	2012
Periodo (anno-mese-giorno)	2012-12-01   -   2017-11-30

 Partecipanti

#	participant	country	role	EC contrib. [€]
1	ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE  Organization address address: BATIMENT CE 3316 STATION 1 city: LAUSANNE postcode: 1015 contact info Titolo: Ms. Nome: Caroline Cognome: Vandevyver Email: send email Telefono: +41 21 693 4977 Fax: +41 21 693 55 85	CH (LAUSANNE)	hostInstitution	1˙482˙240.00
2	ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE  Organization address address: BATIMENT CE 3316 STATION 1 city: LAUSANNE postcode: 1015 contact info Titolo: Prof. Nome: Anne-Clemence Cognome: Corminboeuf Email: send email Telefono: +41 21 693 93 57 Fax: +41 21 693 97 00	CH (LAUSANNE)	hostInstitution	1˙482˙240.00

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 Obiettivo del progetto (Objective)

'The field of electronics has been a veritable powerhouse of the economy, driving technological breakthroughs that affect all aspects of everyday life. Aside from silicon, there has been growing interest in developing a novel generation of electronic devices based on pi-conjugated polymers and oligomers. While their goal is not to exceed the performance of silicon technologies, they could enable far reduced fabrication costs as well as completely new functionalities (e.g. mechanical flexibility, transparency, impact resistance). The performance of these organic devices is greatly dependent on the organization and electronic structures of π-conjugated polymer chains at the molecular level. To achieve full potential, technological developments require fine-tuning of the relative orientation/position of the pi-conjugated moieties, which provide a practical means to enhance electronic properties. The discovery pace of novel materials can be accelerated considerably by the development of efficient computational schemes. This requires an integrated approach, based on which the structural, electronic, and charge transport properties of novel molecular candidates are evaluated computationally and predictions benchmarked by proof of principle experiments. This research program aims at developing a threefold computational screening strategy enabling the design of an emerging class of molecular precursors based on the insertion of π-conjugated molecules into self-assembled hydrogen bond aggregator segments (e.g. oligopeptide, nucleotide and carbohydrate motifs). These bioinspired functionalized pi-conjugated systems offer the highly desirable prospect of achieving ordered suprastructures abundant in nature with the enhanced functionalities only observed in synthetic polymers. A more holistic objective is to definitively establish the relationship between highly ordered architectures and the nature of the electronic interactions and charge transfer properties in the assemblies.'