Objective This research proposal is targeted towards a fundamental understanding of charge and energy transport properties in pi-conjugated materials. Its originality and feasibility come from the unique possibilities afforded by combining the expertise of five EU and one Chinese groups complemented by a grouping of six US partners in a project submitted simultaneously to the National Science Foundation. Integration of the research efforts across the EU and US groups will be enabled by exchange and workshop programmes. Our objective is to advance the understanding of charge and energy transport in organic molecular and polymer materials, starting from the chemical structure of the materials under study.The specific goals of the proposed work are:(i) to obtain accurate estimates of all basic microscopic parameters that control electron and energy transfer processes;(ii) to develop theoretical models establishing a coherent connection between the microscopic parameters and the macroscopic description (verified by data from ultrafast spectroscopy, photoelectron spectroscopy and transport measurements) and(iii) to determine reliable structure-transport property relationships that bridge the molecular scale, mesoscale and the macroscopic device scale.This multi-scale app roach relies on powerful computational methods developed from quantum chemistry, condensed matter physics and statistical mechanics. Therefore we have brought together a team of experts to study how the organisation and structural properties of organic materials determine the transport properties of charge carriers and excitons, especially in device architectures, needed for technologies exploiting organic materials. The US groups provide critical complementary expertise and sharing of computational tools and data. Combining efforts across the Atlantic will ensure completion of an ambitious project, in terms of scientific achievements and education and training. Fields of science natural scienceschemical sciencesphysical chemistryquantum chemistrynatural scienceschemical sciencespolymer sciencesnatural sciencescomputer and information sciencescomputational sciencenatural sciencesphysical sciencesclassical mechanicsstatistical mechanicsnatural sciencesphysical sciencesopticsspectroscopy Programme(s) FP6-NMP - Nanotechnologies and nanosciences, knowledge-based multifunctional materials and new production processes and devices: thematic priority 3 under the 'Focusing and integrating community research' of the 'Integrating and strengthening the European Research Area' specific programme 2002-2006. Topic(s) NMP-2004-NMP-NSF-1 - EU-NSF coordinated activities in Computational materials research Call for proposal FP6-2004-NMP-NSF-1 See other projects for this call Funding Scheme STREP - Specific Targeted Research Project Coordinator UNIVERSITY OF BATH EU contribution No data Address Claverton Down BATH United Kingdom See on map Links Website Opens in new window Total cost No data Participants (7) Sort alphabetically Sort by EU Contribution Expand all Collapse all ATOMISTIX A/S Denmark EU contribution No data Address Juliane Maries Vej 30 COPENHAGEN 0 See on map Links Website Opens in new window Total cost No data CDT OXFORD LTD United Kingdom EU contribution No data Address Building 2020 Cambourne Business Park CAMBOURNE See on map Links Website Opens in new window Total cost No data CONSORZIO INTERUNIVERSITARIO NAZIONALE PER LA SCIENZA E TECNOLOGIA DEI MATERIALI Italy EU contribution No data Address Via Giusti, 9 FIRENZE See on map Links Website Opens in new window Total cost No data INSTITUTE OF CHEMISTRY, CHINESE ACADEMY OF SCIENCES China EU contribution No data Address Zhong Guan Cun Bei Yi Jie 2 BEIJING See on map Links Website Opens in new window Total cost No data QUANTUMWISE A/S Denmark EU contribution No data Address Gyvelvej 20 SOLROD STRAND See on map Links Website Opens in new window Total cost No data THE CHANCELLOR, MASTERS AND SCHOLARS OF THE UNIVERSITY OF CAMBRIDGE United Kingdom EU contribution No data Address The Old Schools, Trinity Lane CB2 1TN CAMBRIDGE See on map Total cost No data UNIVERSITE DE MONS-HAINAUT. Belgium EU contribution No data Address Place du Parc 20 MONS-BERGEN See on map Links Website Opens in new window Total cost No data
