MINOTOR

Modelling of electronic processes at interfaces in organic-based electronic devices

 Coordinatore UNIVERSITE DE MONS 

 Organization address address: PLACE DU PARC 20
city: MONS
postcode: 7000

contact info
Titolo: Dr.
Nome: Pierre
Cognome: Cornut
Email: send email
Telefono: +32 65 374780
Fax: +32 65 373054

 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

 Partecipanti

# participant  country  role  EC contrib. [€] 
1    UNIVERSITE DE MONS

 Organization address address: PLACE DU PARC 20
city: MONS
postcode: 7000

contact info
Titolo: Dr.
Nome: Pierre
Cognome: Cornut
Email: send email
Telefono: +32 65 374780
Fax: +32 65 373054

BE (MONS) coordinator 703˙800.00
2    UNIVERSITEIT TWENTE

 Organization address address: DRIENERLOLAAN 5
city: ENSCHEDE
postcode: 7522 NB

contact info
Titolo: Mr.
Nome: B.J.
Cognome: Pals
Email: send email
Telefono: +31 53 4893702
Fax: +31 53 489 3114

NL (ENSCHEDE) participant 610˙467.00
3    ALMA MATER STUDIORUM-UNIVERSITA DI BOLOGNA

 Organization address address: Via Zamboni 33
city: BOLOGNA
postcode: 40126

contact info
Titolo: Prof.
Nome: Claudio
Cognome: Zannoni
Email: send email
Telefono: -6447024
Fax: -6447024

IT (BOLOGNA) participant 428˙137.00
4    LINKOPINGS UNIVERSITET

 Organization address address: CAMPUS VALLA
city: LINKOPING
postcode: 581 83

contact info
Titolo: Prof.
Nome: Mats
Cognome: Fahlman
Email: send email
Telefono: -363287

SE (LINKOPING) participant 363˙988.00
5    INTERUNIVERSITAIR MICRO-ELECTRONICA CENTRUM VZW

 Organization address address: Kapeldreef 75
city: LEUVEN
postcode: 3001

contact info
Titolo: Ms.
Nome: Christine
Cognome: Van Houtven
Email: send email
Telefono: +32-16-281 613
Fax: +32-16-281 812

BE (LEUVEN) participant 327˙757.00
6    UNIVERSITE BORDEAUX I

 Organization address address: 351 Cours de la Liberation
city: TALENCE
postcode: 33405

contact info
Titolo: Dr.
Nome: Frédéric
Cognome: Castet
Email: send email
Telefono: 33 5 4000 38 63
Fax: 33 5 4000 66 45

FR (TALENCE) participant 201˙600.00
7    UNIVERSIDAD AUTONOMA DE MADRID

 Organization address address: CALLE EINSTEIN, CIUDAD UNIV CANTOBLANCO RECTORADO 3
city: MADRID
postcode: 28049

contact info
Titolo: Prof.
Nome: Fernando
Cognome: Flores
Email: send email
Telefono: 34-91-4975043
Fax: 34-91-4974950

ES (MADRID) participant 178˙597.00
8    Karlsruher Institut fuer Technologie

 Organization address address: Kaiserstrasse 12
city: Karlsruhe
postcode: 76131

contact info
Titolo: Ms.
Nome: Natascha
Cognome: Wallburg
Email: send email
Telefono: 497248000000
Fax: 497248000000

DE (Karlsruhe) participant 160˙312.00
9    BASF SE

 Organization address address: CARL BOSCH STRASSE 38
city: LUDWIGSHAFEN AM RHEIN
postcode: 67056

contact info
Titolo: Prof.
Nome: Michael
Cognome: Roeper
Email: send email
Telefono: -55875
Fax: -79134

DE (LUDWIGSHAFEN AM RHEIN) participant 105˙440.00
10    GEORGIA TECH RESEARCH CORPORATION

 Organization address address: GEORGIA INSTITUTE OF TECHNOLOGY
city: ATLANTA GA
postcode: 30332 0420

contact info
Titolo: Mr.
Nome: James
Cognome: Berkowitz
Email: send email
Telefono: -8221
Fax: -8255

US (ATLANTA GA) participant 0.00

Mappa


 Word cloud

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

function    experiment    deposition    layers    describe    metal    sensors    organic    emitting    surface    made    simultaneously    chemical    demonstrated    occurring    sam    electronic    dft    injection    insulating    performance    electron    electrical    interface    theory    oxide    functionals    theoretical    inorganic    solar    flp    enhanced    molecules    characterisation    unified    electronics    morphology    displays    forming    characterization    coupling    layer    spin       minotor    light    scientists    cells    interfaces    rely    materials    density    electrodes    charge    device   

 Obiettivo del progetto (Objective)

'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.'

Introduzione (Teaser)

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.

Descrizione progetto (Article)

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.

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