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Modelling stability of organic phosphorescent light-emitting diodes

Total Cost €


EC-Contrib. €






Project "MOSTOPHOS" data sheet

The following table provides information about the project.


Organization address
postcode: 80539
website: n.a.

contact info
title: n.a.
name: n.a.
surname: n.a.
function: n.a.
email: n.a.
telephone: n.a.
fax: n.a.

 Coordinator Country Germany [DE]
 Project website
 Total cost 3˙861˙111 €
 EC max contribution 3˙669˙436 € (95%)
 Programme 1. H2020-EU. (Cross-cutting and enabling materials technologies)
 Code Call H2020-NMP-2014-two-stage
 Funding Scheme RIA
 Starting year 2015
 Duration (year-month-day) from 2015-06-01   to  2018-05-31


Take a look of project's partnership.

# participants  country  role  EC contrib. [€] 
6    COSMOLOGIC GMBH & COKG DE (LEVERKUSSEN) participant 318˙125.00
7    Cynora GmbH DE (BRUCHSAL) participant 267˙500.00
9    SIM4TEC GMBH DE (DRESDEN) participant 115˙751.00
10    BASF SE DE (LUDWIGSHAFEN AM RHEIN) participant 108˙547.00
11    FLUXIM AG CH (FEUSISBERG) participant 0.00


 Project objective

The lifetime, reliability, and efficiency of organic light emitting diodes (OLED) are critical factors precluding a number of novel devices from entering the market. Yet, these stability issues of OLEDs are poorly understood due to their notorious complexity, since multiple degradation and failure channels are possible at different length- and timescales. Current experimental and theoretical models of OLED stability are, to a large extent, empirical. They do not include information about the molecular and meso-scales, which prevents their integration into the workflow of the industrial R&D compound design. It is the idea of this project to integrate various levels of theoretical materials characterization into a single software package, to streamline the research workflows in order for the calculations to be truly usable by materials engineers, complementary to experimental measurements. Towards this goal, this project brings together the academic and industrial expertise of the leading experimental and theoretical groups in the field of organic semiconductors.


List of deliverables.
Demonstration of macroscopic OLED simulation including exciton transport Documents, reports 2019-05-30 17:06:29
Project Newsletter 6 Documents, reports 2019-05-30 17:06:28
Organization of two international symposia, invited talks, open-source publications Other 2019-05-30 17:06:28
Project Newsletter 1 Documents, reports 2019-05-30 17:06:26
Project Newsletter 3 Documents, reports 2019-05-30 17:06:31
Participation in EMMC Other 2019-05-30 17:08:35
Project Newsletter 4 Documents, reports 2019-05-30 17:06:30
Project Newsletter 2 Documents, reports 2019-05-30 17:06:32
Project Newsletter 5 Documents, reports 2019-05-30 17:06:29
Fabrication of a demonstrator that shows improved stability compared to the reference stack Demonstrators, pilots, prototypes 2019-05-30 17:06:27

Take a look to the deliverables list in detail:  detailed list of MOSTOPHOS deliverables.


year authors and title journal last update
List of publications.
2015 Pascal Kordt, Sven Stodtmann, Alexander Badinski, Mustapha Al Helwi, Christian Lennartz, Denis Andrienko
Parameter-free continuous drift–diffusion models of amorphous organic semiconductors
published pages: 22778-22783, ISSN: 1463-9076, DOI: 10.1039/C5CP03605D
Phys. Chem. Chem. Phys. 17/35 2019-05-30
2018 Denis Andrienko
A deeper picture of blue pixels
published pages: 19-21, ISSN: , DOI:
2018 Xander de Vries, Pascal Friederich, Wolfgang Wenzel, Reinder Coehoorn, Peter A. Bobbert
Full quantum treatment of charge dynamics in amorphous molecular semiconductors
published pages: , ISSN: 2469-9950, DOI: 10.1103/physrevb.97.075203
Physical Review B 97/7 2019-05-30
2016 Pascal Kordt, Thomas Speck, Denis Andrienko
Finite-size scaling of charge carrier mobility in disordered organic semiconductors
published pages: , ISSN: 2469-9950, DOI: 10.1103/PhysRevB.94.014208
Physical Review B 94/1 2019-05-30
2017 R. Coehoorn, P. A. Bobbert, H. van Eersel
Förster-type triplet-polaron quenching in disordered organic semiconductors
published pages: , ISSN: 2469-9950, DOI: 10.1103/physrevb.96.184203
Physical Review B 96/18 2019-05-30
2016 Fatih Ersan, Seymur Cahangirov, G?khan G?ko?lu, Angel Rubio, Ethem Akt?rk
Stable monolayer honeycomb-like structures of Ru X 2 ( X = S , Se )
published pages: , ISSN: 2469-9950, DOI: 10.1103/PhysRevB.94.155415
Physical Review B 94/15 2019-05-30
2017 Irina V. Lebedeva, Andrey A. Knizhnik, Andrey M. Popov
Edge stacking dislocations in two-dimensional bilayers with a small lattice mismatch
published pages: 49-54, ISSN: 1386-9477, DOI: 10.1016/j.physe.2017.03.008
Physica E: Low-dimensional Systems and Nanostructures 90 2019-05-30
2016 Andrea Lorenzoni, Federico Gallino, Michele Muccini, Francesco Mercuri
Theoretical insights on morphology and charge transport properties of two-dimensional N,N′-ditridecylperylene-3,4,9,10-tetra carboxylic diimide aggregates
published pages: 40724-40730, ISSN: 2046-2069, DOI: 10.1039/C6RA06784K
RSC Adv. 6/47 2019-05-30
2017 Alexander S. Sinitsa, Thomas W. Chamberlain, Thilo Zoberbier, Irina V. Lebedeva, Andrey M. Popov, Andrey A. Knizhnik, Robert L. McSweeney, Johannes Biskupek, Ute Kaiser, Andrei N. Khlobystov
Formation of Nickel Clusters Wrapped in Carbon Cages: Toward New Endohedral Metallofullerene Synthesis
published pages: 1082-1089, ISSN: 1530-6984, DOI: 10.1021/acs.nanolett.6b04607
Nano Letters 17/2 2019-05-30
2017 Johannes Flick, Michael Ruggenthaler, Heiko Appel, Angel Rubio
Atoms and molecules in cavities, from weak to strong coupling in quantum-electrodynamics (QED) chemistry
published pages: 3026-3034, ISSN: 0027-8424, DOI: 10.1073/pnas.1615509114
Proceedings of the National Academy of Sciences 114/12 2019-05-30
2018 Denis Andrienko
Organic electronics
published pages: 26-27, ISSN: , DOI:
SciTech Europa Quarterly 2019-05-30
2016 Jessica Walkenhorst, Umberto De Giovannini, Alberto Castro, Angel Rubio
Tailored pump-probe transient spectroscopy with time-dependent density-functional theory: controlling absorption spectra
published pages: , ISSN: 1434-6028, DOI: 10.1140/epjb/e2016-70064-0
The European Physical Journal B 89/5 2019-05-30
2016 L. Zhang, H. van Eersel, P.A. Bobbert, R. Coehoorn
Clarifying the mechanism of triplet–triplet annihilation in phosphorescent organic host–guest systems: A combined experimental and simulation study
published pages: 142-147, ISSN: 0009-2614, DOI: 10.1016/j.cplett.2016.04.043
Chemical Physics Letters 652 2019-05-30
2017 C. Bacaksiz, A. Dominguez, A. Rubio, R. T. Senger, H. Sahin
h -AlN- Mg ( OH ) 2 van der Waals bilayer heterostructure: Tuning the excitonic characteristics
published pages: , ISSN: 2469-9950, DOI: 10.1103/PhysRevB.95.075423
Physical Review B 95/7 2019-05-30
2018 Paul-Anton Will, Elisabeth Birgit Schwarz, Cornelius Fuchs, Reinhard Scholz, Simone Lenk, Sebastian Reineke
Scattering quantified: Evaluation of corrugation induced outcoupling concepts in organic light-emitting diodes
published pages: 250-256, ISSN: 1566-1199, DOI: 10.1016/j.orgel.2018.04.016
Organic Electronics 58 2019-05-30
2017 Andrea Massé, Pascal Friederich, Franz Symalla, Feilong Liu, Velimir Meded, Reinder Coehoorn, Wolfgang Wenzel, Peter A. Bobbert
Effects of energy correlations and superexchange on charge transport and exciton formation in amorphous molecular semiconductors: An ab initio study
published pages: , ISSN: 2469-9950, DOI: 10.1103/PhysRevB.95.115204
Physical Review B 95/11 2019-05-30
2016 Alexander V. Lebedev, Irina V. Lebedeva, Andrey A. Knizhnik, Andrey M. Popov
Interlayer interaction and related properties of bilayer hexagonal boron nitride: ab initio study
published pages: 6423-6435, ISSN: 2046-2069, DOI: 10.1039/C5RA20882C
RSC Adv. 6/8 2019-05-30
2017 Philipp Wopperer, Umberto De Giovannini, Angel Rubio
Efficient and accurate modeling of electron photoemission in nanostructures with TDDFT
published pages: , ISSN: 1434-6028, DOI: 10.1140/epjb/e2017-70548-3
The European Physical Journal B 90/3 2019-05-30
2016 Bruce F. Milne, Christina Kjaer, Jørgen Houmøller, Mark H. Stockett, Yoni Toker, Angel Rubio, Steen Brøndsted Nielsen
On the Exciton Coupling between Two Chlorophyll Pigments in the Absence of a Protein Environment: Intrinsic Effects Revealed by Theory and Experiment
published pages: 6356-6359, ISSN: 0044-8249, DOI: 10.1002/ange.201601979
Angewandte Chemie 128/21 2019-05-30
2017 Irina V. Lebedeva, Alexander V. Lebedev, Andrey M. Popov, Andrey A. Knizhnik
Comparison of performance of van der Waals-corrected exchange-correlation functionals for interlayer interaction in graphene and hexagonal boron nitride
published pages: 45-58, ISSN: 0927-0256, DOI: 10.1016/j.commatsci.2016.11.011
Computational Materials Science 128 2019-05-30
2016 Andrea Massé, Pascal Friederich, Franz Symalla, Feilong Liu, Robert Nitsche, Reinder Coehoorn, Wolfgang Wenzel, Peter A. Bobbert
Ab initio charge-carrier mobility model for amorphous molecular semiconductors
published pages: , ISSN: 2469-9950, DOI: 10.1103/PhysRevB.93.195209
Physical Review B 93/19 2019-05-30
2016 Duncan J. Mowbray, Alejandro Pérez Paz, Georgina Ruiz-Soria, Markus Sauer, Paolo Lacovig, Matteo Dalmiglio, Silvano Lizzit, Kazuhiro Yanagi, Andrea Goldoni, Thomas Pichler, Paola Ayala, Angel Rubio
Disentangling Vacancy Oxidation on Metallicity-Sorted Carbon Nanotubes
published pages: 18316-18322, ISSN: 1932-7447, DOI: 10.1021/acs.jpcc.6b06163
The Journal of Physical Chemistry C 120/32 2019-05-30
2018 Andrea Lorenzoni, Adriano Mosca Conte, Alessandro Pecchia, Francesco Mercuri
Nanoscale morphology and electronic coupling at the interface between indium tin oxide and organic molecular materials
published pages: , ISSN: 2040-3364, DOI: 10.1039/C8NR02341G
Nanoscale 2019-05-30
2016 M. Mesta, H. van Eersel, R. Coehoorn, P. A. Bobbert
Kinetic Monte Carlo modeling of the efficiency roll-off in a multilayer white organic light-emitting device
published pages: 133301, ISSN: 0003-6951, DOI: 10.1063/1.4945087
Applied Physics Letters 108/13 2019-05-31
2018 Yoshiyuki Miyamoto, Angel Rubio
Application of the Real-Time Time-Dependent Density Functional Theory to Excited-State Dynamics of Molecules and 2D Materials
published pages: 41016, ISSN: 0031-9015, DOI: 10.7566/jpsj.87.041016
Journal of the Physical Society of Japan 87/4 2019-05-30
2016 Livia Noëmi Glanzmann, Duncan John Mowbray
Theoretical Insight into the Internal Quantum Efficiencies of Polymer/C 60 and Polymer/SWNT Photovoltaic Devices
published pages: 6336-6343, ISSN: 1932-7447, DOI: 10.1021/acs.jpcc.5b12611
The Journal of Physical Chemistry C 120/12 2019-05-30
2017 Stefan P. Schießl, Xander de Vries, Marcel Rother, Andrea Massé, Maximilian Brohmann, Peter A. Bobbert, Jana Zaumseil
Modeling carrier density dependent charge transport in semiconducting carbon nanotube networks
published pages: , ISSN: 2475-9953, DOI: 10.1103/physrevmaterials.1.046003
Physical Review Materials 1/4 2019-05-30
2017 R. Coehoorn, L. Zhang, P. A. Bobbert, H. van Eersel
Effect of polaron diffusion on exciton-polaron quenching in disordered organic semiconductors
published pages: , ISSN: 2469-9950, DOI: 10.1103/PhysRevB.95.134202
Physical Review B 95/13 2019-05-30
2018 Junji Yuhara, Yuya Fujii, Kazuki Nishino, Naoki Isobe, Masashi Nakatake, Lede Xian, Angel Rubio, Guy Le Lay
Large area planar stanene epitaxially grown on Ag(1 1 1)
published pages: 25002, ISSN: 2053-1583, DOI: 10.1088/2053-1583/aa9ea0
2D Materials 5/2 2019-05-30
2017 J. Borge, I. V. Tokatly
Ballistic spin transport in the presence of interfaces with strong spin-orbit coupling
published pages: , ISSN: 2469-9950, DOI: 10.1103/physrevb.96.115445
Physical Review B 96/11 2019-05-30
2016 L. Zhang, H. van Eersel, P.A. Bobbert, R. Coehoorn
Analysis of the phosphorescent dye concentration dependence of triplet-triplet annihilation in organic host-guest systems
published pages: 221-227, ISSN: 0009-2614, DOI: 10.1016/j.cplett.2016.07.048
Chemical Physics Letters 662 2019-05-30
2016 Irina V. Lebedeva, Alexander V. Lebedev, Andrey M. Popov, Andrey A. Knizhnik
Dislocations in stacking and commensurate-incommensurate phase transition in bilayer graphene and hexagonal boron nitride
published pages: , ISSN: 2469-9950, DOI: 10.1103/PhysRevB.93.235414
Physical Review B 93/23 2019-05-30
2016 E. Torun, H. Sahin, S. Cahangirov, A. Rubio, F. M. Peeters
Anisotropic electronic, mechanical, and optical properties of monolayer WTe2
published pages: 74307, ISSN: 0021-8979, DOI: 10.1063/1.4942162
Journal of Applied Physics 119/7 2019-05-30
2016 Franz Symalla, Pascal Friederich, Andrea Massé, Velimir Meded, Reinder Coehoorn, Peter Bobbert, Wolfgang Wenzel
Charge Transport by Superexchange in Molecular Host-Guest Systems
published pages: , ISSN: 0031-9007, DOI: 10.1103/PhysRevLett.117.276803
Physical Review Letters 117/27 2019-05-30
2017 Alexander S. Sinitsa, Irina V. Lebedeva, Andrey M. Popov, Andrey A. Knizhnik
Transformation of Amorphous Carbon Clusters to Fullerenes
published pages: 13396-13404, ISSN: 1932-7447, DOI: 10.1021/acs.jpcc.7b04030
The Journal of Physical Chemistry C 121/24 2019-05-30
2016 Gabriele D’Avino, Luca Muccioli, Frédéric Castet, Carl Poelking, Denis Andrienko, Zoltán G Soos, Jérôme Cornil, David Beljonne
Electrostatic phenomena in organic semiconductors: fundamentals and implications for photovoltaics
published pages: 433002, ISSN: 0953-8984, DOI: 10.1088/0953-8984/28/43/433002
Journal of Physics: Condensed Matter 28/43 2019-05-30
2016 Emiliano Martínez-Periñán, Alberto de Juan, Yann Pouillon, Christoph Schierl, Volker Strauss, Nazario Martín, Ángel Rubio, Dirk M. Guldi, Encarnación Lorenzo, Emilio M. Pérez
The mechanical bond on carbon nanotubes: diameter-selective functionalization and effects on physical properties
published pages: 9254-9264, ISSN: 2040-3364, DOI: 10.1039/C6NR01182A
Nanoscale 8/17 2019-05-30
2017 Umberto De Giovannini, Hannes Hübener, Angel Rubio
A First-Principles Time-Dependent Density Functional Theory Framework for Spin and Time-Resolved Angular-Resolved Photoelectron Spectroscopy in Periodic Systems
published pages: 265-273, ISSN: 1549-9618, DOI: 10.1021/acs.jctc.6b00897
Journal of Chemical Theory and Computation 13/1 2019-05-30
2016 Marius Wanko, Seymur Cahangirov, Lei Shi, Philip Rohringer, Zachary J. Lapin, Lukas Novotny, Paola Ayala, Thomas Pichler, Angel Rubio
Polyyne electronic and vibrational properties under environmental interactions
published pages: , ISSN: 2469-9950, DOI: 10.1103/PhysRevB.94.195422
Physical Review B 94/19 2019-05-30
2017 Feilong Liu, Harm van Eersel, Bojian Xu, Janine G. E. Wilbers, Michel P. de Jong, Wilfred G. van der Wiel, Peter A. Bobbert, Reinder Coehoorn
Effect of Coulomb correlation on charge transport in disordered organic semiconductors
published pages: , ISSN: 2469-9950, DOI: 10.1103/physrevb.96.205203
Physical Review B 96/20 2019-05-30
2016 H. van Eersel, P. A. Bobbert, R. A. J. Janssen, R. Coehoorn
Effect of Förster-mediated triplet-polaron quenching and triplet-triplet annihilation on the efficiency roll-off of organic light-emitting diodes
published pages: 163102, ISSN: 0021-8979, DOI: 10.1063/1.4947457
Journal of Applied Physics 119/16 2019-05-30
2016 Carl Poelking, Denis Andrienko
Long-Range Embedding of Molecular Ions and Excitations in a Polarizable Molecular Environment
published pages: 4516-4523, ISSN: 1549-9618, DOI: 10.1021/acs.jctc.6b00599
Journal of Chemical Theory and Computation 12/9 2019-05-30
2015 Pascal Kordt, Jeroen J. M. van der Holst, Mustapha Al Helwi, Wolfgang Kowalsky, Falk May, Alexander Badinski, Christian Lennartz, Denis Andrienko
Modeling of Organic Light Emitting Diodes: From Molecular to Device Properties
published pages: 1955-1971, ISSN: 1616-301X, DOI: 10.1002/adfm.201403004
Advanced Functional Materials 25/13 2019-05-30
2016 Pierluigi Cudazzo, Eric Müller, Carsten Habenicht, Matteo Gatti, Helmuth Berger, Martin Knupfer, Angel Rubio, Simo Huotari
Negative plasmon dispersion in 2 H -NbS 2 beyond the charge-density-wave interpretation
published pages: 103050, ISSN: 1367-2630, DOI: 10.1088/1367-2630/18/10/103050
New Journal of Physics 18/10 2019-05-30
2016 Pascal Kordt, Denis Andrienko
Modeling of Spatially Correlated Energetic Disorder in Organic Semiconductors
published pages: 36-40, ISSN: 1549-9618, DOI: 10.1021/acs.jctc.5b00764
Journal of Chemical Theory and Computation 12/1 2019-05-30
2016 Feilong Liu, Andrea Mass?, Pascal Friederich, Franz Symalla, Robert Nitsche, Wolfgang Wenzel, Reinder Coehoorn, Peter A. Bobbert
Ab initio modeling of steady-state and time-dependent charge transport in hole-only ?-NPD devices
published pages: 243301, ISSN: 0003-6951, DOI: 10.1063/1.4971969
Applied Physics Letters 109/24 2019-05-30
2016 Umberto De Giovannini, Hannes Hübener, Angel Rubio
Monitoring Electron-Photon Dressing in WSe 2
published pages: 7993-7998, ISSN: 1530-6984, DOI: 10.1021/acs.nanolett.6b04419
Nano Letters 16/12 2019-05-30

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