Modelling stability of organic phosphorescent light-emitting diodes

Informazioni relative al progetto

MOSTOPHOS

ID dell’accordo di sovvenzione: 646259

DOI

10.3030/646259

Progetto chiuso

Data della firma CE 13 Maggio 2015

Data di avvio 1 Giugno 2015

Data di completamento 31 Maggio 2018

Finanziato da

• INDUSTRIAL LEADERSHIP - Leadership in enabling and industrial technologies - Advanced materials

Costo totale

€ 3 861 111,75

Contributo UE

€ 3 669 436,75

Coordinato da

MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN EV
Germany

CORDIS fornisce collegamenti ai risultati finali pubblici e alle pubblicazioni dei progetti ORIZZONTE.

I link ai risultati e alle pubblicazioni dei progetti del 7° PQ, così come i link ad alcuni tipi di risultati specifici come dataset e software, sono recuperati dinamicamente da .OpenAIRE .

Risultati finali

Documents, reports (7)

Project Newsletter 2

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

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 1

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 4

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 3

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 5

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

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.

Other (2)

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).

Demonstrators, pilots, prototypes (1)

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.

Pubblicazioni

Peer reviewed articles (54)

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

Autori: Florian Steiner, Carl Poelking, Dorota Niedzialek, Denis Andrienko, Jenny Nelson
Pubblicato in: Physical Chemistry Chemical Physics, Numero 19/17, 2017, Pagina/e 10854-10862, ISSN 1463-9076
Editore: Royal Society of Chemistry
DOI: 10.1039/C6CP06436A

Monitoring Electron-Photon Dressing in WSe 2

Autori: Umberto De Giovannini, Hannes Hübener, Angel Rubio
Pubblicato in: Nano Letters, Numero 16/12, 2016, Pagina/e 7993-7998, ISSN 1530-6984
Editore: American Chemical Society
DOI: 10.1021/acs.nanolett.6b04419

Charge transport in highly ordered organic nanofibrils: lessons from modelling

Autori: Ganna Gryn’ova, Adrien Nicolaï, Antonio Prlj, Pauline Ollitrault, Denis Andrienko, Clemence Corminboeuf
Pubblicato in: Journal of Materials Chemistry C, Numero 5/2, 2017, Pagina/e 350-361, ISSN 2050-7534
Editore: Royal Society of Chemistry
DOI: 10.1039/C6TC04463H

Comparison of systematic coarse-graining strategies for soluble conjugated polymers

Autori: C. Scherer, D. Andrienko
Pubblicato in: The European Physical Journal Special Topics, Numero 225/8-9, 2016, Pagina/e 1441-1461, ISSN 1951-6355
Editore: EDP Sciences
DOI: 10.1140/epjst/e2016-60154-9

Modeling carrier density dependent charge transport in semiconducting carbon nanotube networks

Autori: Stefan P. Schießl, Xander de Vries, Marcel Rother, Andrea Massé, Maximilian Brohmann, Peter A. Bobbert, Jana Zaumseil
Pubblicato in: Physical Review Materials, Numero 1/4, 2017, ISSN 2475-9953
Editore: APS
DOI: 10.1103/physrevmaterials.1.046003

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

Autori: Junji Yuhara, Yuya Fujii, Kazuki Nishino, Naoki Isobe, Masashi Nakatake, Lede Xian, Angel Rubio, Guy Le Lay
Pubblicato in: 2D Materials, Numero 5/2, 2018, Pagina/e 025002, ISSN 2053-1583
Editore: IOP Publishing
DOI: 10.1088/2053-1583/aa9ea0

Phonon-driven spin-Floquet magneto-valleytronics in MoS2

Autori: Dongbin Shin, Hannes Hübener, Umberto De Giovannini, Hosub Jin, Angel Rubio, Noejung Park
Pubblicato in: Nature Communications, Numero 9/1, 2018, ISSN 2041-1723
Editore: Nature Publishing Group
DOI: 10.1038/s41467-018-02918-5

Bimodal supramolecular functionalization of carbon nanotubes triggered by covalent bond formation

Autori: Sofía Leret, Yann Pouillon, Santiago Casado, Cristina Navío, Ángel Rubio, Emilio M. Pérez
Pubblicato in: Chemical Science, Numero 8/3, 2017, Pagina/e 1927-1935, ISSN 2041-6520
Editore: 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

Autori: Yoshiyuki Miyamoto, Angel Rubio
Pubblicato in: Journal of the Physical Society of Japan, Numero 87/4, 2018, Pagina/e 041016, ISSN 0031-9015
Editore: Institute of Pure and Applied Physics
DOI: 10.7566/jpsj.87.041016

Förster-type triplet-polaron quenching in disordered organic semiconductors

Autori: R. Coehoorn, P. A. Bobbert, H. van Eersel
Pubblicato in: Physical Review B, Numero 96/18, 2017, ISSN 2469-9950
Editore: American Physical Society
DOI: 10.1103/physrevb.96.184203

Effect of Coulomb correlation on charge transport in disordered organic semiconductors

Autori: 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
Pubblicato in: Physical Review B, Numero 96/20, 2017, ISSN 2469-9950
Editore: 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

Autori: Alexander V. Lebedev, Irina V. Lebedeva, Andrey M. Popov, Andrey A. Knizhnik
Pubblicato in: Physical Review B, Numero 96/8, 2017, ISSN 2469-9950
Editore: American Physical Socieety
DOI: 10.1103/PhysRevB.96.085432

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

Autori: J. Borge, I. V. Tokatly
Pubblicato in: Physical Review B, Numero 96/11, 2017, ISSN 2469-9950
Editore: 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

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

TDDFT-Based Study on the Proton–DNA Collision

Autori: Rodrigo Seraide, Mario A. Bernal, Gustavo Brunetto, Umberto de Giovannini, Angel Rubio
Pubblicato in: The Journal of Physical Chemistry B, Numero 121/30, 2017, Pagina/e 7276-7283, ISSN 1520-6106
Editore: American Chemical Society
DOI: 10.1021/acs.jpcb.7b04934

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

Autori: Pascal Friederich, Reinder Coehoorn, Wolfgang Wenzel
Pubblicato in: Chemistry of Materials, Numero 29/21, 2017, Pagina/e 9528-9535, ISSN 0897-4756
Editore: American Chemical Society
DOI: 10.1021/acs.chemmater.7b03742

Full quantum treatment of charge dynamics in amorphous molecular semiconductors

Autori: Xander de Vries, Pascal Friederich, Wolfgang Wenzel, Reinder Coehoorn, Peter A. Bobbert
Pubblicato in: Physical Review B, Numero 97/7, 2018, ISSN 2469-9950
Editore: 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

Autori: Anton Melnyk, Matthias J. N. Junk, Michael D. McGehee, Bradley F. Chmelka, Michael Ryan Hansen, Denis Andrienko
Pubblicato in: The Journal of Physical Chemistry Letters, Numero 8/17, 2017, Pagina/e 4155-4160, ISSN 1948-7185
Editore: American Chemical Society
DOI: 10.1021/acs.jpclett.7b01443

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

Autori: Naresh B. Kotadiya, Hao Lu, Anirban Mondal, Yutaka Ie, Denis Andrienko, Paul W. M. Blom, Gert-Jan A. H. Wetzelaer
Pubblicato in: Nature Materials, Numero 17/4, 2018, Pagina/e 329-334, ISSN 1476-1122
Editore: Nature Publishing Group
DOI: 10.1038/s41563-018-0022-8

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

Autori: Paul-Anton Will, Elisabeth Birgit Schwarz, Cornelius Fuchs, Reinhard Scholz, Simone Lenk, Sebastian Reineke
Pubblicato in: Organic Electronics, Numero 58, 2018, Pagina/e 250-256, ISSN 1566-1199
Editore: 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

Autori: Andrea Lorenzoni, Adriano Mosca Conte, Alessandro Pecchia, Francesco Mercuri
Pubblicato in: Nanoscale, 2018, ISSN 2040-3364
Editore: Royal Society of Chemistry
DOI: 10.1039/C8NR02341G

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

Autori: L. Zhang, H. van Eersel, P.A. Bobbert, R. Coehoorn
Pubblicato in: Chemical Physics Letters, Numero 662, 2016, Pagina/e 221-227, ISSN 0009-2614
Editore: 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

Autori: Livia Noëmi Glanzmann, Duncan John Mowbray
Pubblicato in: The Journal of Physical Chemistry C, Numero 120/12, 2016, Pagina/e 6336-6343, ISSN 1932-7447
Editore: 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

Autori: H. van Eersel, P. A. Bobbert, R. A. J. Janssen, R. Coehoorn
Pubblicato in: Journal of Applied Physics, Numero 119/16, 2016, Pagina/e 163102, ISSN 0021-8979
Editore: 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

Autori: Bruce F. Milne, Christina Kjaer, Jørgen Houmøller, Mark H. Stockett, Yoni Toker, Angel Rubio, Steen Brøndsted Nielsen
Pubblicato in: Angewandte Chemie, Numero 128/21, 2016, Pagina/e 6356-6359, ISSN 0044-8249
Editore: 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

Autori: L. Zhang, H. van Eersel, P.A. Bobbert, R. Coehoorn
Pubblicato in: Chemical Physics Letters, Numero 652, 2016, Pagina/e 142-147, ISSN 0009-2614
Editore: 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

Autori: Andrea Lorenzoni, Federico Gallino, Michele Muccini, Francesco Mercuri
Pubblicato in: RSC Adv., Numero 6/47, 2016, Pagina/e 40724-40730, ISSN 2046-2069
Editore: Royal Society of Chemistry
DOI: 10.1039/C6RA06784K

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

Autori: Emiliano Martínez-Periñán, Alberto de Juan, Yann Pouillon, Christoph Schierl, Volker Strauss, Nazario Martín, Ángel Rubio, Dirk M. Guldi, Encarnación Lorenzo, Emilio M. Pérez
Pubblicato in: Nanoscale, Numero 8/17, 2016, Pagina/e 9254-9264, ISSN 2040-3364
Editore: 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

Autori: M. Mesta, H. van Eersel, R. Coehoorn, P. A. Bobbert
Pubblicato in: Applied Physics Letters, Numero 108/13, 2016, Pagina/e 133301, ISSN 0003-6951
Editore: American Institute of Physics
DOI: 10.1063/1.4945087

Disentangling Vacancy Oxidation on Metallicity-Sorted Carbon Nanotubes

Autori: 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
Pubblicato in: The Journal of Physical Chemistry C, Numero 120/32, 2016, Pagina/e 18316-18322, ISSN 1932-7447
Editore: American Chemical Society
DOI: 10.1021/acs.jpcc.6b06163

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

Autori: Alexander V. Lebedev, Irina V. Lebedeva, Andrey A. Knizhnik, Andrey M. Popov
Pubblicato in: RSC Adv., Numero 6/8, 2016, Pagina/e 6423-6435, ISSN 2046-2069
Editore: Royal Society of Chemistry
DOI: 10.1039/C5RA20882C

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

Autori: Jessica Walkenhorst, Umberto De Giovannini, Alberto Castro, Angel Rubio
Pubblicato in: The European Physical Journal B, Numero 89/5, 2016, ISSN 1434-6028
Editore: Springer Verlag
DOI: 10.1140/epjb/e2016-70064-0

Anisotropic electronic, mechanical, and optical properties of monolayer WTe2

Autori: E. Torun, H. Sahin, S. Cahangirov, A. Rubio, F. M. Peeters
Pubblicato in: Journal of Applied Physics, Numero 119/7, 2016, Pagina/e 074307, ISSN 0021-8979
Editore: American Institute of Physics
DOI: 10.1063/1.4942162

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

Autori: Irina V. Lebedeva, Alexander V. Lebedev, Andrey M. Popov, Andrey A. Knizhnik
Pubblicato in: Physical Review B, Numero 93/23, 2016, ISSN 2469-9950
Editore: American Physical Society
DOI: 10.1103/PhysRevB.93.235414

Ab initio charge-carrier mobility model for amorphous molecular semiconductors

Autori: Andrea Massé, Pascal Friederich, Franz Symalla, Feilong Liu, Robert Nitsche, Reinder Coehoorn, Wolfgang Wenzel, Peter A. Bobbert
Pubblicato in: Physical Review B, Numero 93/19, 2016, ISSN 2469-9950
Editore: American Physical Society.
DOI: 10.1103/PhysRevB.93.195209

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

Autori: Pascal Kordt, Thomas Speck, Denis Andrienko
Pubblicato in: Physical Review B, Numero 94/1, 2016, ISSN 2469-9950
Editore: American Physical Society
DOI: 10.1103/PhysRevB.94.014208

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

Autori: Carl Poelking, Denis Andrienko
Pubblicato in: Journal of Chemical Theory and Computation, Numero 12/9, 2016, Pagina/e 4516-4523, ISSN 1549-9618
Editore: American Chemical Society
DOI: 10.1021/acs.jctc.6b00599

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

Autori: Pascal Kordt, Jeroen J. M. van der Holst, Mustapha Al Helwi, Wolfgang Kowalsky, Falk May, Alexander Badinski, Christian Lennartz, Denis Andrienko
Pubblicato in: Advanced Functional Materials, Numero 25/13, 2015, Pagina/e 1955-1971, ISSN 1616-301X
Editore: John Wiley & Sons Ltd.
DOI: 10.1002/adfm.201403004

Electrostatic phenomena in organic semiconductors: fundamentals and implications for photovoltaics

Autori: Gabriele D’Avino, Luca Muccioli, Frédéric Castet, Carl Poelking, Denis Andrienko, Zoltán G Soos, Jérôme Cornil, David Beljonne
Pubblicato in: Journal of Physics: Condensed Matter, Numero 28/43, 2016, Pagina/e 433002, ISSN 0953-8984
Editore: 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

Autori: Irina V. Lebedeva, Alexander V. Lebedev, Andrey M. Popov, Andrey A. Knizhnik
Pubblicato in: Computational Materials Science, Numero 128, 2017, Pagina/e 45-58, ISSN 0927-0256
Editore: Elsevier BV
DOI: 10.1016/j.commatsci.2016.11.011

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

Autori: Pierluigi Cudazzo, Eric Müller, Carsten Habenicht, Matteo Gatti, Helmuth Berger, Martin Knupfer, Angel Rubio, Simo Huotari
Pubblicato in: New Journal of Physics, Numero 18/10, 2016, Pagina/e 103050, ISSN 1367-2630
Editore: Institute of Physics Publishing
DOI: 10.1088/1367-2630/18/10/103050

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

Autori: Pascal Kordt, Sven Stodtmann, Alexander Badinski, Mustapha Al Helwi, Christian Lennartz, Denis Andrienko
Pubblicato in: Phys. Chem. Chem. Phys., Numero 17/35, 2015, Pagina/e 22778-22783, ISSN 1463-9076
Editore: Royal Society of Chemistry
DOI: 10.1039/C5CP03605D

Transformation of Amorphous Carbon Clusters to Fullerenes

Autori: Alexander S. Sinitsa, Irina V. Lebedeva, Andrey M. Popov, Andrey A. Knizhnik
Pubblicato in: The Journal of Physical Chemistry C, Numero 121/24, 2017, Pagina/e 13396-13404, ISSN 1932-7447
Editore: 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

Autori: Feilong Liu, Andrea Mass?, Pascal Friederich, Franz Symalla, Robert Nitsche, Wolfgang Wenzel, Reinder Coehoorn, Peter A. Bobbert
Pubblicato in: Applied Physics Letters, Numero 109/24, 2016, Pagina/e 243301, ISSN 0003-6951
Editore: American Institute of Physics
DOI: 10.1063/1.4971969

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

Autori: Johannes Flick, Michael Ruggenthaler, Heiko Appel, Angel Rubio
Pubblicato in: Proceedings of the National Academy of Sciences, Numero 114/12, 2017, Pagina/e 3026-3034, ISSN 0027-8424
Editore: National Academy of Sciences
DOI: 10.1073/pnas.1615509114

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

Autori: Fatih Ersan, Seymur Cahangirov, G?khan G?ko?lu, Angel Rubio, Ethem Akt?rk
Pubblicato in: Physical Review B, Numero 94/15, 2016, ISSN 2469-9950
Editore: American Physical Society
DOI: 10.1103/PhysRevB.94.155415

Efficient and accurate modeling of electron photoemission in nanostructures with TDDFT

Autori: Philipp Wopperer, Umberto De Giovannini, Angel Rubio
Pubblicato in: The European Physical Journal B, Numero 90/3, 2017, ISSN 1434-6028
Editore: Springer Verlag
DOI: 10.1140/epjb/e2017-70548-3

Charge Transport by Superexchange in Molecular Host-Guest Systems

Autori: Franz Symalla, Pascal Friederich, Andrea Massé, Velimir Meded, Reinder Coehoorn, Peter Bobbert, Wolfgang Wenzel
Pubblicato in: Physical Review Letters, Numero 117/27, 2016, ISSN 0031-9007
Editore: American Physical Society
DOI: 10.1103/PhysRevLett.117.276803

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

Autori: 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
Pubblicato in: Nano Letters, Numero 17/2, 2017, Pagina/e 1082-1089, ISSN 1530-6984
Editore: 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

Autori: Umberto De Giovannini, Hannes Hübener, Angel Rubio
Pubblicato in: Journal of Chemical Theory and Computation, Numero 13/1, 2017, Pagina/e 265-273, ISSN 1549-9618
Editore: American Chemical Society
DOI: 10.1021/acs.jctc.6b00897

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

Autori: Irina V. Lebedeva, Andrey A. Knizhnik, Andrey M. Popov
Pubblicato in: Physica E: Low-dimensional Systems and Nanostructures, Numero 90, 2017, Pagina/e 49-54, ISSN 1386-9477
Editore: 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

Autori: Andrea Massé, Pascal Friederich, Franz Symalla, Feilong Liu, Velimir Meded, Reinder Coehoorn, Wolfgang Wenzel, Peter A. Bobbert
Pubblicato in: Physical Review B, Numero 95/11, 2017, ISSN 2469-9950
Editore: American Physical Society
DOI: 10.1103/PhysRevB.95.115204

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

Autori: R. Coehoorn, L. Zhang, P. A. Bobbert, H. van Eersel
Pubblicato in: Physical Review B, Numero 95/13, 2017, ISSN 2469-9950
Editore: American Physical Society
DOI: 10.1103/PhysRevB.95.134202

Modeling of Spatially Correlated Energetic Disorder in Organic Semiconductors

Autori: Pascal Kordt, Denis Andrienko
Pubblicato in: Journal of Chemical Theory and Computation, Numero 12/1, 2016, Pagina/e 36-40, ISSN 1549-9618
Editore: American Chemical Society
DOI: 10.1021/acs.jctc.5b00764

Conference proceedings (4)

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

Autori: Denis Andrienko
Pubblicato in: 2017 International Conference on Numerical Simulation of Optoelectronic Devices (NUSOD), 2017, Pagina/e 101-102, ISBN 978-1-5090-5323-0
Editore: IEEE
DOI: 10.1109/NUSOD.2017.8010011

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

Autori: Aldo Di Carlo, Francesco Santoni
Pubblicato in: 2015 IEEE International Electron Devices Meeting (IEDM), 2015, Pagina/e 12.6.1-12.6.4, ISBN 978-1-4673-9894-7
Editore: IEEE
DOI: 10.1109/IEDM.2015.7409685

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

Autori: Francesco Santoni, Thomas Brown, Francesca Brunetti, Sara Pescetelli, Andrea Reale, Aldo Di Carlo, Matthias Auf der Maur
Pubblicato in: 2017 International Conference on Numerical Simulation of Optoelectronic Devices (NUSOD), 2017, Pagina/e 103-104, ISBN 978-1-5090-5323-0
Editore: 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

Autori: Paul-Anton Will, Elisabeth Schwarz, Cornelius Fuchs, Simone Lenk, Sebastian Reineke
Pubblicato in: Light, Energy and the Environment, 2016, Pagina/e SSW2D.4, ISBN 978-0-9600380-4-6
Editore: OSA
DOI: 10.1364/SSL.2016.SSW2D.4

Other (2)

A deeper picture of blue pixels

Autori: Denis Andrienko
Pubblicato in: EU RESEARCH, EUR15 DIGITAL MAGAZINE FINAL, 2018, Pagina/e 19-21
Editore: Blazon Publishing and Media Ltd

Organic electronics

Autori: Denis Andrienko
Pubblicato in: SciTech Europa Quarterly, 2018, Pagina/e 26-27
Editore: SciTech Europa

Non-peer reviewed articles (2)

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

Autori: C. Bacaksiz, A. Dominguez, A. Rubio, R. T. Senger, H. Sahin
Pubblicato in: Physical Review B, Numero 95/7, 2017, ISSN 2469-9950
Editore: American Physical Society
DOI: 10.1103/PhysRevB.95.075423

Polyyne electronic and vibrational properties under environmental interactions

Autori: Marius Wanko, Seymur Cahangirov, Lei Shi, Philip Rohringer, Zachary J. Lapin, Lukas Novotny, Paola Ayala, Thomas Pichler, Angel Rubio
Pubblicato in: Physical Review B, Numero 94/19, 2016, ISSN 2469-9950
Editore: American Physical Society
DOI: 10.1103/PhysRevB.94.195422