Modelling stability of organic phosphorescent light-emitting diodes

Rezultaty

A periodic (6 months) newsletter will be created to provide constant information about the project to industrial associations, scientific societies, professional associations, universities and research institutions. The Newsletter will be posted on the Webpage and distributed via electronic means

Project Newsletter 6

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Demonstration of macroscopic OLED simulation including exciton transport

UTV will extend its continuum transport code based on the drift-diffusion approximation to include transport of both singlet and triplet excitons. State-of-the-art mobility and density of states models appropriate for organic materials will be used for electron and hole transport, whereas the exciton models will be based mainly on results from KMC. Key model parameters like recombination rate parameters, diffusivities or exciton quenching will be obtained from ab-initio and KMC methods (see Task 3.2) using a parametric multiscale approach. An accurate description of energy alignment and charge injection at metal-organic and organic-organic interfaces will be achieved by coupling the drift-diffusion models to microscopic transport models based on the non-equilibrium Green’s function formalism used at CNR. The complete transport model will be applied in particular to 3D OLED structures. This will allow to assess the effect of spatial inhomogeneity like thermal hot-spots due to polaron-triplet quenching (see Task 3.4). The tool will also be equipped with suitable degradation models in order to simulate the temporal evolution of device performance and stability. The developed model will be continuously validated against characterization data of test structures provided by TUD.

Organization of two international symposia, invited talks, open-source publications

Knowledge will be disseminated to the public via publications in peer review journals (open access), national and international conferences and symposia. The project will host 2 symposia to communicate the results to experts in the field and potential end users.

Participation in EMMC

Attendance of the EMMC meeting on the metadata discussion and incorporation of the proposed schemes into the developed code (upon positive evaluation in D7.9).

Fabrication of a demonstrator that shows improved stability compared to the reference stack

At the end of the action, a physical OLED demonstrator with lab scale dimensions (about 2 by 2 cm) will be presented to the public including device performance parameters. There are two reporting cases: 1) WPs 1-3 have identified stability problems in the reference device, these shortcomings could be suppressed by material design, composition, and/or device engineering approaches, such that the demonstrator shows improved lifetime compared to the reference device. 2) WPs 1-3 have identified stability problems in the reference device, but no concept to improved device stability could be realized in the action. Here, the demonstrator is the reference device with the addition of the identification of origins of device instabilities.

Publikacje

Influence of orientation mismatch on charge transport across grain boundaries in tri-isopropylsilylethynyl (TIPS) pentacene thin films

Autorzy: Florian Steiner, Carl Poelking, Dorota Niedzialek, Denis Andrienko, Jenny Nelson
Opublikowane w: Physical Chemistry Chemical Physics, Numer 19/17, 2017, Strona(/y) 10854-10862, ISSN 1463-9076
Wydawca: Royal Society of Chemistry
DOI: 10.1039/C6CP06436A

Monitoring Electron-Photon Dressing in WSe 2

Autorzy: Umberto De Giovannini, Hannes Hübener, Angel Rubio
Opublikowane w: Nano Letters, Numer 16/12, 2016, Strona(/y) 7993-7998, ISSN 1530-6984
Wydawca: American Chemical Society
DOI: 10.1021/acs.nanolett.6b04419

Charge transport in highly ordered organic nanofibrils: lessons from modelling

Autorzy: Ganna Gryn’ova, Adrien Nicolaï, Antonio Prlj, Pauline Ollitrault, Denis Andrienko, Clemence Corminboeuf
Opublikowane w: Journal of Materials Chemistry C, Numer 5/2, 2017, Strona(/y) 350-361, ISSN 2050-7534
Wydawca: Royal Society of Chemistry
DOI: 10.1039/C6TC04463H

Comparison of systematic coarse-graining strategies for soluble conjugated polymers

Autorzy: C. Scherer, D. Andrienko
Opublikowane w: The European Physical Journal Special Topics, Numer 225/8-9, 2016, Strona(/y) 1441-1461, ISSN 1951-6355
Wydawca: EDP Sciences
DOI: 10.1140/epjst/e2016-60154-9

Modeling carrier density dependent charge transport in semiconducting carbon nanotube networks

Autorzy: Stefan P. Schießl, Xander de Vries, Marcel Rother, Andrea Massé, Maximilian Brohmann, Peter A. Bobbert, Jana Zaumseil
Opublikowane w: Physical Review Materials, Numer 1/4, 2017, ISSN 2475-9953
Wydawca: APS
DOI: 10.1103/physrevmaterials.1.046003

Large area planar stanene epitaxially grown on Ag(1 1 1)

Autorzy: Junji Yuhara, Yuya Fujii, Kazuki Nishino, Naoki Isobe, Masashi Nakatake, Lede Xian, Angel Rubio, Guy Le Lay
Opublikowane w: 2D Materials, Numer 5/2, 2018, Strona(/y) 025002, ISSN 2053-1583
Wydawca: IOP Publishing
DOI: 10.1088/2053-1583/aa9ea0

Phonon-driven spin-Floquet magneto-valleytronics in MoS2

Autorzy: Dongbin Shin, Hannes Hübener, Umberto De Giovannini, Hosub Jin, Angel Rubio, Noejung Park
Opublikowane w: Nature Communications, Numer 9/1, 2018, ISSN 2041-1723
Wydawca: Nature Publishing Group
DOI: 10.1038/s41467-018-02918-5

Bimodal supramolecular functionalization of carbon nanotubes triggered by covalent bond formation

Autorzy: Sofía Leret, Yann Pouillon, Santiago Casado, Cristina Navío, Ángel Rubio, Emilio M. Pérez
Opublikowane w: Chemical Science, Numer 8/3, 2017, Strona(/y) 1927-1935, ISSN 2041-6520
Wydawca: Royal Society of Chemistry
DOI: 10.1039/c6sc03894h

Application of the Real-Time Time-Dependent Density Functional Theory to Excited-State Dynamics of Molecules and 2D Materials

Autorzy: Yoshiyuki Miyamoto, Angel Rubio
Opublikowane w: Journal of the Physical Society of Japan, Numer 87/4, 2018, Strona(/y) 041016, ISSN 0031-9015
Wydawca: Institute of Pure and Applied Physics
DOI: 10.7566/jpsj.87.041016

Förster-type triplet-polaron quenching in disordered organic semiconductors

Autorzy: R. Coehoorn, P. A. Bobbert, H. van Eersel
Opublikowane w: Physical Review B, Numer 96/18, 2017, ISSN 2469-9950
Wydawca: American Physical Society
DOI: 10.1103/physrevb.96.184203

Effect of Coulomb correlation on charge transport in disordered organic semiconductors

Autorzy: 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
Opublikowane w: Physical Review B, Numer 96/20, 2017, ISSN 2469-9950
Wydawca: American Physical Society
DOI: 10.1103/physrevb.96.205203

Stacking in incommensurate graphene/hexagonal-boron-nitride heterostructures based on ab initio study of interlayer interaction

Autorzy: Alexander V. Lebedev, Irina V. Lebedeva, Andrey M. Popov, Andrey A. Knizhnik
Opublikowane w: Physical Review B, Numer 96/8, 2017, ISSN 2469-9950
Wydawca: American Physical Socieety
DOI: 10.1103/PhysRevB.96.085432

Ballistic spin transport in the presence of interfaces with strong spin-orbit coupling

Autorzy: J. Borge, I. V. Tokatly
Opublikowane w: Physical Review B, Numer 96/11, 2017, ISSN 2469-9950
Wydawca: American Physical Society
DOI: 10.1103/physrevb.96.115445

Structure and energetics of carbon, hexagonal boron nitride, and carbon/hexagonal boron nitride single-layer and bilayer nanoscrolls

Autorzy: Andrei I. Siahlo, Nikolai A. Poklonski, Alexander V. Lebedev, Irina V. Lebedeva, Andrey M. Popov, Sergey A. Vyrko, Andrey A. Knizhnik, Yurii E. Lozovik
Opublikowane w: Physical Review Materials, Numer 2/3, 2018, ISSN 2475-9953
Wydawca: American Physical Society
DOI: 10.1103/PhysRevMaterials.2.036001

TDDFT-Based Study on the Proton–DNA Collision

Autorzy: Rodrigo Seraide, Mario A. Bernal, Gustavo Brunetto, Umberto de Giovannini, Angel Rubio
Opublikowane w: The Journal of Physical Chemistry B, Numer 121/30, 2017, Strona(/y) 7276-7283, ISSN 1520-6106
Wydawca: American Chemical Society
DOI: 10.1021/acs.jpcb.7b04934

Molecular Origin of the Anisotropic Dye Orientation in Emissive Layers of Organic Light Emitting Diodes

Autorzy: Pascal Friederich, Reinder Coehoorn, Wolfgang Wenzel
Opublikowane w: Chemistry of Materials, Numer 29/21, 2017, Strona(/y) 9528-9535, ISSN 0897-4756
Wydawca: American Chemical Society
DOI: 10.1021/acs.chemmater.7b03742

Full quantum treatment of charge dynamics in amorphous molecular semiconductors

Autorzy: Xander de Vries, Pascal Friederich, Wolfgang Wenzel, Reinder Coehoorn, Peter A. Bobbert
Opublikowane w: Physical Review B, Numer 97/7, 2018, ISSN 2469-9950
Wydawca: American Physical Society
DOI: 10.1103/physrevb.97.075203

Macroscopic Structural Compositions of π-Conjugated Polymers: Combined Insights from Solid-State NMR and Molecular Dynamics Simulations

Autorzy: Anton Melnyk, Matthias J. N. Junk, Michael D. McGehee, Bradley F. Chmelka, Michael Ryan Hansen, Denis Andrienko
Opublikowane w: The Journal of Physical Chemistry Letters, Numer 8/17, 2017, Strona(/y) 4155-4160, ISSN 1948-7185
Wydawca: American Chemical Society
DOI: 10.1021/acs.jpclett.7b01443

Universal strategy for Ohmic hole injection into organic semiconductors with high ionization energies

Autorzy: Naresh B. Kotadiya, Hao Lu, Anirban Mondal, Yutaka Ie, Denis Andrienko, Paul W. M. Blom, Gert-Jan A. H. Wetzelaer
Opublikowane w: Nature Materials, Numer 17/4, 2018, Strona(/y) 329-334, ISSN 1476-1122
Wydawca: Nature Publishing Group
DOI: 10.1038/s41563-018-0022-8

Scattering quantified: Evaluation of corrugation induced outcoupling concepts in organic light-emitting diodes

Autorzy: Paul-Anton Will, Elisabeth Birgit Schwarz, Cornelius Fuchs, Reinhard Scholz, Simone Lenk, Sebastian Reineke
Opublikowane w: Organic Electronics, Numer 58, 2018, Strona(/y) 250-256, ISSN 1566-1199
Wydawca: Elsevier BV
DOI: 10.1016/j.orgel.2018.04.016

Nanoscale morphology and electronic coupling at the interface between indium tin oxide and organic molecular materials

Autorzy: Andrea Lorenzoni, Adriano Mosca Conte, Alessandro Pecchia, Francesco Mercuri
Opublikowane w: Nanoscale, 2018, ISSN 2040-3364
Wydawca: Royal Society of Chemistry
DOI: 10.1039/C8NR02341G

Analysis of the phosphorescent dye concentration dependence of triplet-triplet annihilation in organic host-guest systems

Autorzy: L. Zhang, H. van Eersel, P.A. Bobbert, R. Coehoorn
Opublikowane w: Chemical Physics Letters, Numer 662, 2016, Strona(/y) 221-227, ISSN 0009-2614
Wydawca: Elsevier BV
DOI: 10.1016/j.cplett.2016.07.048

Theoretical Insight into the Internal Quantum Efficiencies of Polymer/C 60 and Polymer/SWNT Photovoltaic Devices

Autorzy: Livia Noëmi Glanzmann, Duncan John Mowbray
Opublikowane w: The Journal of Physical Chemistry C, Numer 120/12, 2016, Strona(/y) 6336-6343, ISSN 1932-7447
Wydawca: American Chemical Society
DOI: 10.1021/acs.jpcc.5b12611

Effect of Förster-mediated triplet-polaron quenching and triplet-triplet annihilation on the efficiency roll-off of organic light-emitting diodes

Autorzy: H. van Eersel, P. A. Bobbert, R. A. J. Janssen, R. Coehoorn
Opublikowane w: Journal of Applied Physics, Numer 119/16, 2016, Strona(/y) 163102, ISSN 0021-8979
Wydawca: American Institute of Physics
DOI: 10.1063/1.4947457

On the Exciton Coupling between Two Chlorophyll Pigments in the Absence of a Protein Environment: Intrinsic Effects Revealed by Theory and Experiment

Autorzy: Bruce F. Milne, Christina Kjaer, Jørgen Houmøller, Mark H. Stockett, Yoni Toker, Angel Rubio, Steen Brøndsted Nielsen
Opublikowane w: Angewandte Chemie, Numer 128/21, 2016, Strona(/y) 6356-6359, ISSN 0044-8249
Wydawca: John Wiley & Sons Ltd.
DOI: 10.1002/ange.201601979

Clarifying the mechanism of triplet–triplet annihilation in phosphorescent organic host–guest systems: A combined experimental and simulation study

Autorzy: L. Zhang, H. van Eersel, P.A. Bobbert, R. Coehoorn
Opublikowane w: Chemical Physics Letters, Numer 652, 2016, Strona(/y) 142-147, ISSN 0009-2614
Wydawca: Elsevier BV
DOI: 10.1016/j.cplett.2016.04.043

Theoretical insights on morphology and charge transport properties of two-dimensional N,N′-ditridecylperylene-3,4,9,10-tetra carboxylic diimide aggregates

Autorzy: Andrea Lorenzoni, Federico Gallino, Michele Muccini, Francesco Mercuri
Opublikowane w: RSC Adv., Numer 6/47, 2016, Strona(/y) 40724-40730, ISSN 2046-2069
Wydawca: Royal Society of Chemistry
DOI: 10.1039/C6RA06784K

The mechanical bond on carbon nanotubes: diameter-selective functionalization and effects on physical properties

Autorzy: Emiliano Martínez-Periñán, Alberto de Juan, Yann Pouillon, Christoph Schierl, Volker Strauss, Nazario Martín, Ángel Rubio, Dirk M. Guldi, Encarnación Lorenzo, Emilio M. Pérez
Opublikowane w: Nanoscale, Numer 8/17, 2016, Strona(/y) 9254-9264, ISSN 2040-3364
Wydawca: Royal Society of Chemistry
DOI: 10.1039/C6NR01182A

Kinetic Monte Carlo modeling of the efficiency roll-off in a multilayer white organic light-emitting device

Autorzy: M. Mesta, H. van Eersel, R. Coehoorn, P. A. Bobbert
Opublikowane w: Applied Physics Letters, Numer 108/13, 2016, Strona(/y) 133301, ISSN 0003-6951
Wydawca: American Institute of Physics
DOI: 10.1063/1.4945087

Disentangling Vacancy Oxidation on Metallicity-Sorted Carbon Nanotubes

Autorzy: 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
Opublikowane w: The Journal of Physical Chemistry C, Numer 120/32, 2016, Strona(/y) 18316-18322, ISSN 1932-7447
Wydawca: American Chemical Society
DOI: 10.1021/acs.jpcc.6b06163

Interlayer interaction and related properties of bilayer hexagonal boron nitride: ab initio study

Autorzy: Alexander V. Lebedev, Irina V. Lebedeva, Andrey A. Knizhnik, Andrey M. Popov
Opublikowane w: RSC Adv., Numer 6/8, 2016, Strona(/y) 6423-6435, ISSN 2046-2069
Wydawca: Royal Society of Chemistry
DOI: 10.1039/C5RA20882C

Tailored pump-probe transient spectroscopy with time-dependent density-functional theory: controlling absorption spectra

Autorzy: Jessica Walkenhorst, Umberto De Giovannini, Alberto Castro, Angel Rubio
Opublikowane w: The European Physical Journal B, Numer 89/5, 2016, ISSN 1434-6028
Wydawca: Springer Verlag
DOI: 10.1140/epjb/e2016-70064-0

Anisotropic electronic, mechanical, and optical properties of monolayer WTe2

Autorzy: E. Torun, H. Sahin, S. Cahangirov, A. Rubio, F. M. Peeters
Opublikowane w: Journal of Applied Physics, Numer 119/7, 2016, Strona(/y) 074307, ISSN 0021-8979
Wydawca: American Institute of Physics
DOI: 10.1063/1.4942162

Dislocations in stacking and commensurate-incommensurate phase transition in bilayer graphene and hexagonal boron nitride

Autorzy: Irina V. Lebedeva, Alexander V. Lebedev, Andrey M. Popov, Andrey A. Knizhnik
Opublikowane w: Physical Review B, Numer 93/23, 2016, ISSN 2469-9950
Wydawca: American Physical Society
DOI: 10.1103/PhysRevB.93.235414

Ab initio charge-carrier mobility model for amorphous molecular semiconductors

Autorzy: Andrea Massé, Pascal Friederich, Franz Symalla, Feilong Liu, Robert Nitsche, Reinder Coehoorn, Wolfgang Wenzel, Peter A. Bobbert
Opublikowane w: Physical Review B, Numer 93/19, 2016, ISSN 2469-9950
Wydawca: American Physical Society.
DOI: 10.1103/PhysRevB.93.195209

Finite-size scaling of charge carrier mobility in disordered organic semiconductors

Autorzy: Pascal Kordt, Thomas Speck, Denis Andrienko
Opublikowane w: Physical Review B, Numer 94/1, 2016, ISSN 2469-9950
Wydawca: American Physical Society
DOI: 10.1103/PhysRevB.94.014208

Long-Range Embedding of Molecular Ions and Excitations in a Polarizable Molecular Environment

Autorzy: Carl Poelking, Denis Andrienko
Opublikowane w: Journal of Chemical Theory and Computation, Numer 12/9, 2016, Strona(/y) 4516-4523, ISSN 1549-9618
Wydawca: American Chemical Society
DOI: 10.1021/acs.jctc.6b00599

Modeling of Organic Light Emitting Diodes: From Molecular to Device Properties

Autorzy: Pascal Kordt, Jeroen J. M. van der Holst, Mustapha Al Helwi, Wolfgang Kowalsky, Falk May, Alexander Badinski, Christian Lennartz, Denis Andrienko
Opublikowane w: Advanced Functional Materials, Numer 25/13, 2015, Strona(/y) 1955-1971, ISSN 1616-301X
Wydawca: John Wiley & Sons Ltd.
DOI: 10.1002/adfm.201403004

Electrostatic phenomena in organic semiconductors: fundamentals and implications for photovoltaics

Autorzy: Gabriele D’Avino, Luca Muccioli, Frédéric Castet, Carl Poelking, Denis Andrienko, Zoltán G Soos, Jérôme Cornil, David Beljonne
Opublikowane w: Journal of Physics: Condensed Matter, Numer 28/43, 2016, Strona(/y) 433002, ISSN 0953-8984
Wydawca: Institute of Physics Publishing
DOI: 10.1088/0953-8984/28/43/433002

Comparison of performance of van der Waals-corrected exchange-correlation functionals for interlayer interaction in graphene and hexagonal boron nitride

Autorzy: Irina V. Lebedeva, Alexander V. Lebedev, Andrey M. Popov, Andrey A. Knizhnik
Opublikowane w: Computational Materials Science, Numer 128, 2017, Strona(/y) 45-58, ISSN 0927-0256
Wydawca: Elsevier BV
DOI: 10.1016/j.commatsci.2016.11.011

Negative plasmon dispersion in 2 H -NbS 2 beyond the charge-density-wave interpretation

Autorzy: Pierluigi Cudazzo, Eric Müller, Carsten Habenicht, Matteo Gatti, Helmuth Berger, Martin Knupfer, Angel Rubio, Simo Huotari
Opublikowane w: New Journal of Physics, Numer 18/10, 2016, Strona(/y) 103050, ISSN 1367-2630
Wydawca: Institute of Physics Publishing
DOI: 10.1088/1367-2630/18/10/103050

Parameter-free continuous drift–diffusion models of amorphous organic semiconductors

Autorzy: Pascal Kordt, Sven Stodtmann, Alexander Badinski, Mustapha Al Helwi, Christian Lennartz, Denis Andrienko
Opublikowane w: Phys. Chem. Chem. Phys., Numer 17/35, 2015, Strona(/y) 22778-22783, ISSN 1463-9076
Wydawca: Royal Society of Chemistry
DOI: 10.1039/C5CP03605D

Transformation of Amorphous Carbon Clusters to Fullerenes

Autorzy: Alexander S. Sinitsa, Irina V. Lebedeva, Andrey M. Popov, Andrey A. Knizhnik
Opublikowane w: The Journal of Physical Chemistry C, Numer 121/24, 2017, Strona(/y) 13396-13404, ISSN 1932-7447
Wydawca: American Chemical Society
DOI: 10.1021/acs.jpcc.7b04030

Ab initio modeling of steady-state and time-dependent charge transport in hole-only ?-NPD devices

Autorzy: Feilong Liu, Andrea Mass?, Pascal Friederich, Franz Symalla, Robert Nitsche, Wolfgang Wenzel, Reinder Coehoorn, Peter A. Bobbert
Opublikowane w: Applied Physics Letters, Numer 109/24, 2016, Strona(/y) 243301, ISSN 0003-6951
Wydawca: American Institute of Physics
DOI: 10.1063/1.4971969

Atoms and molecules in cavities, from weak to strong coupling in quantum-electrodynamics (QED) chemistry

Autorzy: Johannes Flick, Michael Ruggenthaler, Heiko Appel, Angel Rubio
Opublikowane w: Proceedings of the National Academy of Sciences, Numer 114/12, 2017, Strona(/y) 3026-3034, ISSN 0027-8424
Wydawca: National Academy of Sciences
DOI: 10.1073/pnas.1615509114

Stable monolayer honeycomb-like structures of Ru X 2 ( X = S , Se )

Autorzy: Fatih Ersan, Seymur Cahangirov, G?khan G?ko?lu, Angel Rubio, Ethem Akt?rk
Opublikowane w: Physical Review B, Numer 94/15, 2016, ISSN 2469-9950
Wydawca: American Physical Society
DOI: 10.1103/PhysRevB.94.155415

Efficient and accurate modeling of electron photoemission in nanostructures with TDDFT

Autorzy: Philipp Wopperer, Umberto De Giovannini, Angel Rubio
Opublikowane w: The European Physical Journal B, Numer 90/3, 2017, ISSN 1434-6028
Wydawca: Springer Verlag
DOI: 10.1140/epjb/e2017-70548-3

Charge Transport by Superexchange in Molecular Host-Guest Systems

Autorzy: Franz Symalla, Pascal Friederich, Andrea Massé, Velimir Meded, Reinder Coehoorn, Peter Bobbert, Wolfgang Wenzel
Opublikowane w: Physical Review Letters, Numer 117/27, 2016, ISSN 0031-9007
Wydawca: American Physical Society
DOI: 10.1103/PhysRevLett.117.276803

Formation of Nickel Clusters Wrapped in Carbon Cages: Toward New Endohedral Metallofullerene Synthesis

Autorzy: 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
Opublikowane w: Nano Letters, Numer 17/2, 2017, Strona(/y) 1082-1089, ISSN 1530-6984
Wydawca: American Chemical Society
DOI: 10.1021/acs.nanolett.6b04607

A First-Principles Time-Dependent Density Functional Theory Framework for Spin and Time-Resolved Angular-Resolved Photoelectron Spectroscopy in Periodic Systems

Autorzy: Umberto De Giovannini, Hannes Hübener, Angel Rubio
Opublikowane w: Journal of Chemical Theory and Computation, Numer 13/1, 2017, Strona(/y) 265-273, ISSN 1549-9618
Wydawca: American Chemical Society
DOI: 10.1021/acs.jctc.6b00897

Edge stacking dislocations in two-dimensional bilayers with a small lattice mismatch

Autorzy: Irina V. Lebedeva, Andrey A. Knizhnik, Andrey M. Popov
Opublikowane w: Physica E: Low-dimensional Systems and Nanostructures, Numer 90, 2017, Strona(/y) 49-54, ISSN 1386-9477
Wydawca: Elsevier BV
DOI: 10.1016/j.physe.2017.03.008

Effects of energy correlations and superexchange on charge transport and exciton formation in amorphous molecular semiconductors: An ab initio study

Autorzy: Andrea Massé, Pascal Friederich, Franz Symalla, Feilong Liu, Velimir Meded, Reinder Coehoorn, Wolfgang Wenzel, Peter A. Bobbert
Opublikowane w: Physical Review B, Numer 95/11, 2017, ISSN 2469-9950
Wydawca: American Physical Society
DOI: 10.1103/PhysRevB.95.115204

Effect of polaron diffusion on exciton-polaron quenching in disordered organic semiconductors

Autorzy: R. Coehoorn, L. Zhang, P. A. Bobbert, H. van Eersel
Opublikowane w: Physical Review B, Numer 95/13, 2017, ISSN 2469-9950
Wydawca: American Physical Society
DOI: 10.1103/PhysRevB.95.134202

Modeling of Spatially Correlated Energetic Disorder in Organic Semiconductors

Autorzy: Pascal Kordt, Denis Andrienko
Opublikowane w: Journal of Chemical Theory and Computation, Numer 12/1, 2016, Strona(/y) 36-40, ISSN 1549-9618
Wydawca: American Chemical Society
DOI: 10.1021/acs.jctc.5b00764

Modeling of organic light emitting diodes: From molecular to device properties

Autorzy: Denis Andrienko
Opublikowane w: 2017 International Conference on Numerical Simulation of Optoelectronic Devices (NUSOD), 2017, Strona(/y) 101-102, ISBN 978-1-5090-5323-0
Wydawca: IEEE
DOI: 10.1109/NUSOD.2017.8010011

Charge transport modelling in organic semiconductors: From diodes to transistors, memories and energy harvesters

Autorzy: Aldo Di Carlo, Francesco Santoni
Opublikowane w: 2015 IEEE International Electron Devices Meeting (IEDM), 2015, Strona(/y) 12.6.1-12.6.4, ISBN 978-1-4673-9894-7
Wydawca: IEEE
DOI: 10.1109/IEDM.2015.7409685

A universal drift-diffusion simulator and its application to OLED simulations

Autorzy: Francesco Santoni, Thomas Brown, Francesca Brunetti, Sara Pescetelli, Andrea Reale, Aldo Di Carlo, Matthias Auf der Maur
Opublikowane w: 2017 International Conference on Numerical Simulation of Optoelectronic Devices (NUSOD), 2017, Strona(/y) 103-104, ISBN 978-1-5090-5323-0
Wydawca: IEEE
DOI: 10.1109/NUSOD.2017.8010012

Bragg Scattering of Non-radiative Modes in Red Top-emitting Organic Light Emitting Diodes with Variation of Cavity Length

Autorzy: Paul-Anton Will, Elisabeth Schwarz, Cornelius Fuchs, Simone Lenk, Sebastian Reineke
Opublikowane w: Light, Energy and the Environment, 2016, Strona(/y) SSW2D.4, ISBN 978-0-9600380-4-6
Wydawca: OSA
DOI: 10.1364/SSL.2016.SSW2D.4

A deeper picture of blue pixels

Autorzy: Denis Andrienko
Opublikowane w: EU RESEARCH, EUR15 DIGITAL MAGAZINE FINAL, 2018, Strona(/y) 19-21
Wydawca: Blazon Publishing and Media Ltd

Organic electronics

Autorzy: Denis Andrienko
Opublikowane w: SciTech Europa Quarterly, 2018, Strona(/y) 26-27
Wydawca: SciTech Europa

h -AlN- Mg ( OH ) 2 van der Waals bilayer heterostructure: Tuning the excitonic characteristics

Autorzy: C. Bacaksiz, A. Dominguez, A. Rubio, R. T. Senger, H. Sahin
Opublikowane w: Physical Review B, Numer 95/7, 2017, ISSN 2469-9950
Wydawca: American Physical Society
DOI: 10.1103/PhysRevB.95.075423

Polyyne electronic and vibrational properties under environmental interactions

Autorzy: Marius Wanko, Seymur Cahangirov, Lei Shi, Philip Rohringer, Zachary J. Lapin, Lukas Novotny, Paola Ayala, Thomas Pichler, Angel Rubio
Opublikowane w: Physical Review B, Numer 94/19, 2016, ISSN 2469-9950
Wydawca: American Physical Society
DOI: 10.1103/PhysRevB.94.195422

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