Coordinatore | UNIVERSITE DE MONS
Organization address
address: PLACE DU PARC 20 contact info |
Nazionalità Coordinatore | Belgium [BE] |
Sito del progetto | http://www.materianova.be/minotor |
Totale costo | 4˙134˙595 € |
EC contributo | 3˙080˙098 € |
Programma | FP7-NMP
Specific Programme "Cooperation": Nanosciences, Nanotechnologies, Materials and new Production Technologies |
Code Call | FP7-NMP-2008-SMALL-2 |
Funding Scheme | CP-FP |
Anno di inizio | 2009 |
Periodo (anno-mese-giorno) | 2009-06-01 - 2012-05-31 |
# | ||||
---|---|---|---|---|
1 |
UNIVERSITE DE MONS
Organization address
address: PLACE DU PARC 20 contact info |
BE (MONS) | coordinator | 703˙800.00 |
2 |
UNIVERSITEIT TWENTE
Organization address
address: DRIENERLOLAAN 5 contact info |
NL (ENSCHEDE) | participant | 610˙467.00 |
3 |
ALMA MATER STUDIORUM-UNIVERSITA DI BOLOGNA
Organization address
address: Via Zamboni 33 contact info |
IT (BOLOGNA) | participant | 428˙137.00 |
4 |
LINKOPINGS UNIVERSITET
Organization address
address: CAMPUS VALLA contact info |
SE (LINKOPING) | participant | 363˙988.00 |
5 |
INTERUNIVERSITAIR MICRO-ELECTRONICA CENTRUM VZW
Organization address
address: Kapeldreef 75 contact info |
BE (LEUVEN) | participant | 327˙757.00 |
6 |
UNIVERSITE BORDEAUX I
Organization address
address: 351 Cours de la Liberation contact info |
FR (TALENCE) | participant | 201˙600.00 |
7 |
UNIVERSIDAD AUTONOMA DE MADRID
Organization address
address: CALLE EINSTEIN, CIUDAD UNIV CANTOBLANCO RECTORADO 3 contact info |
ES (MADRID) | participant | 178˙597.00 |
8 |
Karlsruher Institut fuer Technologie
Organization address
address: Kaiserstrasse 12 contact info |
DE (Karlsruhe) | participant | 160˙312.00 |
9 |
BASF SE
Organization address
address: CARL BOSCH STRASSE 38 contact info |
DE (LUDWIGSHAFEN AM RHEIN) | participant | 105˙440.00 |
10 |
GEORGIA TECH RESEARCH CORPORATION
Organization address
address: GEORGIA INSTITUTE OF TECHNOLOGY contact info |
US (ATLANTA GA) | participant | 0.00 |
Esplora la "nuvola delle parole (Word Cloud) per avere un'idea di massima del progetto.
'The growing fields of organic electronics and spin-based electronics rely on the use of organic conjugated molecules and polymers as active components in multi-layer device applications such as light-emitting displays, solar cells, field-effect transistors, (bio)chemical sensors and storage devices. Since all organic-based devices are made by deposition of successive layers (metal, oxide, insulating or semiconducting layers), many key electronic processes (such as charge injection from metallic electrodes, charge recombination into light or light conversion into charges, spin injection, etc.) occur at interfaces. Although a large body of knowledge has been accumulated on the characterization of such interfaces (especially morphological issues), a detailed and unified understanding of the electronic processes occurring at these interfaces is currently missing and there is no consensus on the materials and device strategies that need to be developed in order to achieve these objectives. The main goal of this proposal is to bring together complementary expertises in order to assess the electronic processes occurring at interfaces via theoretical modelling tools supported by surface-sensitive characterization techniques. MINOTOR gathers leading groups in the modelling of electronic processes at interfaces (organic/organic, metal/organic, and inorganic/organic) typically encountered in organic-based electronic devices. The main goal of MINOTOR is to develop a multiscale theoretical approach ranging from the atomistic to mesoscopic scale to model in the most realistic way such interfaces and provide a unified view of the electronic phenomena taking place at these interfaces. The theoretical predictions will be compared to experimental investigations performed in the consortium, thereby allowing a direct feedback between theory and experiment.'
Many electrical devices are formed by layering various materials. EU funding supported the characterisation of electrical processes at their interfaces leading to products with enhanced performance.
Organic-based devices such as light-emitting displays, solar cells and biological and chemical sensors rely on the deposition of layers of different materials. Thus, it is critical to characterise the interfaces between the various metals, oxides and insulating or semi-conducting materials used. Although extensive work has led to a deeper understanding of the morphology of such materials and interfaces, detailed characterisation of relevant electrical processes was needed to complete the picture.
The EU-funded project 'Modelling of electronic processes at interfaces in organic-based electronic devices' (MINOTOR) made excellent progress in filling this gap. Scientists focused simultaneously on metal/organic interfaces (M/O), organic/organic interfaces (O/O) and inorganic/organic (I/O) interfaces. MINOTOR applied Discrete Fourier Transform (DFT) approaches based on density functionals that mathematically describe the electron density of many-electron systems. Scientists employed these methods to evaluate the so-called work function as well as Fermi level pinning (FLP), related to removing an electron from a surface and prevention of such, respectively.
Standard DFT approaches worked well in describing M/O interfaces with strong coupling between the molecules and the surface. Scientists showed that surface electron characteristics of metal electrodes can be intricately tuned by modifying the self-assembled monolayer (SAM)-forming molecules used to coat them. In the case of weak coupling, such as in a metal covered by a thin layer of native oxide, DFT reliably reproduced FLP effects.
Long-range corrected DFT functionals were recommended to describe interfacial charge distribution in O/O interfaces with partial charge transfer between donor and acceptor entities. However, microelectrostatic (ME) models were preferred over DFT for O/O systems dominated by polarisation effects.
In the case of I/O interfaces, investigators demonstrated tuning of the work function of oxide layers by grafting SAM-forming molecules. Tight-binding DFT methods are necessary to simultaneously describe electron density distributions of the interfaces.
Numerous devices including spintronics devices and solar cells were fabricated to connect theory to experiment. They demonstrated the ability of SAMs to tune interface characteristics and the role of interface morphology in device performance.
An enhanced understanding of electrical processes at all interfaces provided by MINOTOR will enable future designers to create high-performance products.