EXTended Model of Organic Semiconductors

Informazioni relative al progetto

EXTMOS

ID dell’accordo di sovvenzione: 646176

DOI

10.3030/646176

Progetto chiuso

Data della firma CE 28 Maggio 2015

Data di avvio 1 Luglio 2015

Data di completamento 30 Giugno 2019

Finanziato da

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

Costo totale

€ 4 998 000,00

Contributo UE

€ 4 998 000,00

Coordinato da

UNIVERSITY OF BATH
United Kingdom

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

Open Research Data Pilot (1)

EXTMOS Open Research Data Pilot

Other (6)

Dragons' Den Event

Link to T4 Communicate with, receive feedback from and engage in dialogue with (i) the public and users with a stake in societal and environmental impacts, (ii) commercial users and potential investors: device manufacturers and their supply chain and the simulation supply chain/software houses, (iii) research users Full description in part B

EXTMOS Summer School

Link to T4 Communicate with, receive feedback from and engage in dialogue with (i) the public and users with a stake in societal and environmental impacts, (ii) commercial users and potential investors: device manufacturers and their supply chain and the simulation supply chain/software houses, (iii) research users, (iv) users requiring skills and educational training. all partners 09/18 Erice, Italy EXTMOS Summer School

EMMC workshops and training events

Link to T4 Communicate with, receive feedback from and engage in dialogue with (i) the public and users with a stake in societal and environmental impacts, (ii) commercial users and potential investors: device manufacturers and their supply chain and the simulation supply chain/software houses, (iii) research users, (iv) users requiring skills and educational training. all partners

Online documentation and tutorial course 2

link to T4 Communicate with, receive feedback from and engage in dialogue with (i) the public and users with a stake in societal and environmental impacts, (ii) commercial users and potential investors: device manufacturers and their supply chain and the simulation supply chain/software houses, (iii) research users, (iv) users requiring skills and educational training. all partners

Online documentation and tutorial course

Link to T4 Communicate with, receive feedback from and engage in dialogue with (i) the public and users with a stake in societal and environmental impacts, (ii) commercial users and potential investors: device manufacturers and their supply chain and the simulation supply chain/software houses, (iii) research users, (iv) users requiring skills and educational training. all partners Online documentation to be tested at tutorial course 1 to be linked to a conference attended by potential users of EXTMOS model

EU-US Workshop

Link to T4 Communicate with, receive feedback from and engage in dialogue with (i) the public and users with a stake in societal and environmental impacts, (ii) commercial users and potential investors: device manufacturers and their supply chain and the simulation supply chain/software houses, (iii) research users, (iv) users requiring skills and educational training. all partners M34 04/18 UBAH and US advisors satellite to MRS Spring conf, US

Websites, patent fillings, videos etc. (2)

i Project public website ii Press release with video on EXTMOS technology

Linked to T4 Communicate with, receive feedback from and engage in dialogue with (i) the public and (ii) users with a stake in societal and environmental impacts. Full description in part b

Data repository with public access

Link to T4 Communicate with, receive feedback from and engage in dialogue with (ii) commercial users and potential investors: device manufacturers and their supply chain and the simulation supply chain/software houses, (iii) research users all partners Set up data repository with public access with preliminary collection of data needed by and output from EXTMOS package and validation measurements.

Documents, reports (1)

EXTMOS Modelling Data Form

EXTMOS Modelling Data form, MODA

Pubblicazioni

Peer reviewed articles (54)

Combining the GW formalism with the polarizable continuum model: A state-specific non-equilibrium approach

Autori: Ivan Duchemin, Denis Jacquemin, Xavier Blase
Pubblicato in: The Journal of Chemical Physics, Numero 144/16, 2016, Pagina/e 164106, ISSN 0021-9606
Editore: American Institute of Physics
DOI: 10.1063/1.4946778

Combining the Many-Body GW Formalism with Classical Polarizable Models: Insights on the Electronic Structure of Molecular Solids

Autori: Jing Li, Gabriele D’Avino, Ivan Duchemin, David Beljonne, Xavier Blase
Pubblicato in: The Journal of Physical Chemistry Letters, Numero 7/14, 2016, Pagina/e 2814-2820, ISSN 1948-7185
Editore: American Chemical Society
DOI: 10.1021/acs.jpclett.6b01302

Challenges in large scale quantum mechanical calculations

Autori: Laura E. Ratcliff, Stephan Mohr, Georg Huhs, Thierry Deutsch, Michel Masella, Luigi Genovese
Pubblicato in: Wiley Interdisciplinary Reviews: Computational Molecular Science, Numero 7/1, 2017, Pagina/e e1290, ISSN 1759-0876
Editore: John Wiley & Sons Inc.
DOI: 10.1002/wcms.1290

Impact of structural anisotropy on electro-mechanical response in crystalline organic semiconductors

Autori: Sai Manoj Gali, Claudio Quarti, Yoann Olivier, Jérôme Cornil, Lionel Truflandier, Frédéric Castet, Luca Muccioli, David Beljonne
Pubblicato in: Journal of Materials Chemistry C, Numero 7/15, 2019, Pagina/e 4382-4391, ISSN 2050-7534
Editore: Royal Society of Chemistry
DOI: 10.1039/c8tc06385k

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, Pagina/e 276803, ISSN 0031-9007
Editore: American Physical Society
DOI: 10.1103/physrevlett.117.276803

Highly emissive excitons with reduced exchange energy in thermally activated delayed fluorescent molecules

Autori: Anton Pershin, David Hall, Vincent Lemaur, Juan-Carlos Sancho-Garcia, Luca Muccioli, Eli Zysman-Colman, David Beljonne, Yoann Olivier
Pubblicato in: Nature Communications, Numero 10/1, 2019, Pagina/e 597, ISSN 2041-1723
Editore: Nature Publishing Group
DOI: 10.1038/s41467-019-08495-5

Hole-transport comparison between solution-processed and vacuum-deposited organic semiconductors

Autori: Deepthi K. Mangalore, Paul W. M. Blom, Gert-Jan A. H. Wetzelaer
Pubblicato in: APL Materials, Numero 7/1, 2019, Pagina/e 011105, ISSN 2166-532X
Editore: American Institute of Physics
DOI: 10.1063/1.5058686

From idealised to predictive models of liquid crystals

Autori: Claudio Zannoni
Pubblicato in: Liquid Crystals, Numero 45/13-15, 2018, Pagina/e 1880-1893, ISSN 0267-8292
Editore: Taylor & Francis
DOI: 10.1080/02678292.2018.1512170

Host dependence of the electron affinity of molecular dopants

Autori: Jing Li, Ivan Duchemin, Otello Maria Roscioni, Pascal Friederich, Marie Anderson, Enrico Da Como, Gabriele Kociok-Köhn, Wolfgang Wenzel, Claudio Zannoni, David Beljonne, Xavier Blase, Gabriele D'Avino
Pubblicato in: Materials Horizons, Numero 6/1, 2019, Pagina/e 107-114, ISSN 2051-6347
Editore: Royal Society of Chemistry
DOI: 10.1039/c8mh00921j

Is the Bethe–Salpeter Formalism Accurate for Excitation Energies? Comparisons with TD-DFT, CASPT2, and EOM-CCSD

Autori: Denis Jacquemin, Ivan Duchemin, Xavier Blase
Pubblicato in: The Journal of Physical Chemistry Letters, Numero 8/7, 2017, Pagina/e 1524-1529, ISSN 1948-7185
Editore: American Chemical Society
DOI: 10.1021/acs.jpclett.7b00381

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, Pagina/e 075203, ISSN 2469-9950
Editore: American Physical Society
DOI: 10.1103/physrevb.97.075203

Correlated electron-hole mechanism for molecular doping in organic semiconductors

Autori: Jing Li, Gabriele D'Avino, Anton Pershin, Denis Jacquemin, Ivan Duchemin, David Beljonne, Xavier Blase
Pubblicato in: Physical Review Materials, Numero 1/2, 2017, Pagina/e 025602, ISSN 2475-9953
Editore: American Physical Society
DOI: 10.1103/PhysRevMaterials.1.025602

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

Autori: Feilong Liu, Andrea Massé, 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

Helium Atom Excitations by the G W and Bethe-Salpeter Many-Body Formalism

Autori: Jing Li, Markus Holzmann, Ivan Duchemin, Xavier Blase, Valerio Olevano
Pubblicato in: Physical Review Letters, Numero 118/16, 2017, ISSN 0031-9007
Editore: American Physical Society
DOI: 10.1103/PhysRevLett.118.163001

Donor–acceptor stacking arrangements in bulk and thin-film high-mobility conjugated polymers characterized using molecular modelling and MAS and surface-enhanced solid-state NMR spectroscopy

Autori: Sachin R. Chaudhari, John M. Griffin, Katharina Broch, Anne Lesage, Vincent Lemaur, Dmytro Dudenko, Yoann Olivier, Henning Sirringhaus, Lyndon Emsley, Clare P. Grey
Pubblicato in: Chemical Science, Numero 8/4, 2017, Pagina/e 3126-3136, ISSN 2041-6520
Editore: Royal Society of Chemistry
DOI: 10.1039/c7sc00053g

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

Hybrid and Constrained Resolution-of-Identity Techniques for Coulomb Integrals

Autori: Ivan Duchemin, Jing Li, Xavier Blase
Pubblicato in: Journal of Chemical Theory and Computation, Numero 13/3, 2017, Pagina/e 1199-1208, ISSN 1549-9618
Editore: American Chemical Society
DOI: 10.1021/acs.jctc.6b01215

A generalized Poisson and Poisson-Boltzmann solver for electrostatic environments

Autori: G. Fisicaro, L. Genovese, O. Andreussi, N. Marzari, S. Goedecker
Pubblicato in: The Journal of Chemical Physics, Numero 144/1, 2016, Pagina/e 014103, ISSN 0021-9606
Editore: American Institute of Physics
DOI: 10.1063/1.4939125

Accurate description of charged excitations in molecular solids from embedded many-body perturbation theory

Autori: Jing Li, Gabriele D'Avino, Ivan Duchemin, David Beljonne, Xavier Blase
Pubblicato in: Physical Review B, Numero 97/3, 2018, Pagina/e 035108, ISSN 2469-9950
Editore: American Physical Society
DOI: 10.1103/PhysRevB.97.035108

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

The Bethe–Salpeter formalism with polarisable continuum embedding: reconciling linear-response and state-specific features

Autori: Ivan Duchemin, Ciro A. Guido, Denis Jacquemin, Xavier Blase
Pubblicato in: Chemical Science, Numero 9/19, 2018, Pagina/e 4430-4443, ISSN 2041-6520
Editore: Royal Society of Chemistry
DOI: 10.1039/C8SC00529J

Electronic Structure and Charge Transport in Nanostripped Graphene

Autori: J. X. Lian, A. Lherbier, L. J. Wang, J.-C. Charlier, D. Beljonne, Y. Olivier
Pubblicato in: The Journal of Physical Chemistry C, Numero 120/36, 2016, Pagina/e 20024-20032, ISSN 1932-7447
Editore: American Chemical Society
DOI: 10.1021/acs.jpcc.6b06265

Microscopic origins of charge transport in triphenylene systems

Autori: Ian R. Thompson, Mary K. Coe, Alison B. Walker, Matteo Ricci, Otello M. Roscioni, Claudio Zannoni
Pubblicato in: Physical Review Materials, Numero 2/6, 2018, Pagina/e 064601, ISSN 2475-9953
Editore: American Physical Society
DOI: 10.1103/PhysRevMaterials.2.064601

Temperature-induced valence instability in the charge-transfer crystal TMB-TCNQ

Autori: Nicola Castagnetti, Gabriele Kociok-Köhn, Enrico Da Como, Alberto Girlando
Pubblicato in: Physical Review B, Numero 95/2, 2017, Pagina/e 024101, ISSN 2469-9950
Editore: American Physical Society
DOI: 10.1103/PhysRevB.95.024101

Complexity Reduction in Large Quantum Systems: Fragment Identification and Population Analysis via a Local Optimized Minimal Basis

Autori: Stephan Mohr, Michel Masella, Laura E. Ratcliff, Luigi Genovese
Pubblicato in: Journal of Chemical Theory and Computation, Numero 13/9, 2017, Pagina/e 4079-4088, ISSN 1549-9618
Editore: American Chemical Society
DOI: 10.1021/acs.jctc.7b00291

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

Nature of the singlet and triplet excitations mediating thermally activated delayed fluorescence

Autori: Y. Olivier, B. Yurash, L. Muccioli, G. D’Avino, O. Mikhnenko, J. C. Sancho-García, C. Adachi, T.-Q. Nguyen, D. Beljonne
Pubblicato in: Physical Review Materials, Numero 1/7, 2017, Pagina/e 075602, ISSN 2475-9953
Editore: American Physical Society
DOI: 10.1103/PhysRevMaterials.1.075602

On the importance of detailed structure in molecular electronics (and why microscopic models cannot see the wood for trees)

Autori: Ian R Thompson, Mary K Coe, Alison B Walker, Matteo Ricci, Otello M Roscioni, Claudio Zannoni
Pubblicato in: Liquid Crystals, Numero 45/13-15, 2018, Pagina/e 2086-2096, ISSN 0267-8292
Editore: Taylor & Francis
DOI: 10.1080/02678292.2018.1512666

Energetic fluctuations in amorphous semiconducting polymers: Impact on charge-carrier mobility

Autori: Sai Manoj Gali, Gabriele D’Avino, Philippe Aurel, Guangchao Han, Yuanping Yi, Theodoros A. Papadopoulos, Veaceslav Coropceanu, Jean-Luc Brédas, Georges Hadziioannou, Claudio Zannoni, Luca Muccioli
Pubblicato in: The Journal of Chemical Physics, Numero 147/13, 2017, Pagina/e 134904, ISSN 0021-9606
Editore: American Institute of Physics
DOI: 10.1063/1.4996969

N-doped cycloparaphenylenes: Tuning electronic properties for applications in thermally activated delayed fluorescence

Autori: Christina Graham, Mónica Moral, Luca Muccioli, Yoann Olivier, Ángel J. Pérez-Jiménez, Juan-Carlos Sancho-García
Pubblicato in: International Journal of Quantum Chemistry, Numero 118/12, 2018, Pagina/e e25562, ISSN 0020-7608
Editore: John Wiley & Sons Inc.
DOI: 10.1002/qua.25562

Computational Design of Thermally Activated Delayed Fluorescence Materials: The Challenges Ahead

Autori: Y. Olivier, J.-C. Sancho-Garcia, L. Muccioli, G. D’Avino, D. Beljonne
Pubblicato in: The Journal of Physical Chemistry Letters, Numero 9/20, 2018, Pagina/e 6149-6163, ISSN 1948-7185
Editore: American Chemical Society
DOI: 10.1021/acs.jpclett.8b02327

Electron and hole transport in the organic small molecule α-NPD

Autori: R. Rohloff, N. B. Kotadiya, N. I. Crăciun, P. W. M. Blom, G. A. H. Wetzelaer
Pubblicato in: Applied Physics Letters, Numero 110/7, 2017, Pagina/e 073301, ISSN 0003-6951
Editore: American Institute of Physics
DOI: 10.1063/1.4976205

Displacement of polarons by vibrational modes in doped conjugated polymers

Autori: M. Anderson, C. Ramanan, C. Fontanesi, A. Frick, S. Surana, D. Cheyns, M. Furno, T. Keller, S. Allard, U. Scherf, D. Beljonne, G. D’Avino, E. von Hauff, E. Da Como
Pubblicato in: Physical Review Materials, Numero 1/5, 2017, ISSN 2475-9953
Editore: Americal Physical Society
DOI: 10.1103/PhysRevMaterials.1.055604

Measurements of Ambipolar Seebeck Coefficients in High-Mobility Diketopyrrolopyrrole Donor-Acceptor Copolymers

Autori: Katharina Broch, Deepak Venkateshvaran, Vincent Lemaur, Yoann Olivier, David Beljonne, Mateusz Zelazny, Iyad Nasrallah, David J. Harkin, Martin Statz, Riccardo Di Pietro, Auke Jisk Kronemeijer, Henning Sirringhaus
Pubblicato in: Advanced Electronic Materials, Numero 3/11, 2017, Pagina/e 1700225, ISSN 2199-160X
Editore: Wiley
DOI: 10.1002/aelm.201700225

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

Rational In Silico Design of an Organic Semiconductor with Improved Electron Mobility

Autori: Pascal Friederich, Verónica Gómez, Christian Sprau, Velimir Meded, Timo Strunk, Michael Jenne, Andrea Magri, Franz Symalla, Alexander Colsmann, Mario Ruben, Wolfgang Wenzel
Pubblicato in: Advanced Materials, Numero 29/43, 2017, Pagina/e 1703505, ISSN 0935-9648
Editore: United Nations Industrial Developement Organization
DOI: 10.1002/adma.201703505

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

Short contacts between chains enhancing luminescence quantum yields and carrier mobilities in conjugated copolymers

Autori: Tudor H. Thomas, David J. Harkin, Alexander J. Gillett, Vincent Lemaur, Mark Nikolka, Aditya Sadhanala, Johannes M. Richter, John Armitage, Hu Chen, Iain McCulloch, S. Matthew Menke, Yoann Olivier, David Beljonne, Henning Sirringhaus
Pubblicato in: Nature Communications, Numero 10/1, 2019, ISSN 2041-1723
Editore: Nature Publishing Group
DOI: 10.1038/s41467-019-10277-y

Toward Design of Novel Materials for Organic Electronics

Autori: Pascal Friederich, Artem Fediai, Simon Kaiser, Manuel Konrad, Nicole Jung, Wolfgang Wenzel
Pubblicato in: Advanced Materials, Numero 31/26, 2019, Pagina/e 1808256, ISSN 0935-9648
Editore: United Nations Industrial Developement Organization
DOI: 10.1002/adma.201808256

Rigorous Characterization and Predictive Modeling of Hole Transport in Amorphous Organic Semiconductors

Autori: Naresh B. Kotadiya, Anirban Mondal, Shiyun Xiong, Paul W. M. Blom, Denis Andrienko, Gert‐Jan A. H. Wetzelaer
Pubblicato in: Advanced Electronic Materials, Numero 4/12, 2018, Pagina/e 1800366, ISSN 2199-160X
Editore: Wiley Online Library
DOI: 10.1002/aelm.201800366

Investigation of the High Electron Affinity Molecular Dopant F6-TCNNQ for Hole-Transport Materials

Autori: Fengyu Zhang, Antoine Kahn
Pubblicato in: Advanced Functional Materials, Numero 28/1, 2018, Pagina/e 1703780, ISSN 1616-301X
Editore: John Wiley & Sons Ltd.
DOI: 10.1002/adfm.201703780

Simulating morphologies of organic semiconductors by exploiting low-frequency vibrational modes

Autori: Alexander R. Smith, Ian R. Thompson, Alison B. Walker
Pubblicato in: The Journal of Chemical Physics, Numero 150/16, 2019, Pagina/e 164115, ISSN 0021-9606
Editore: American Institute of Physics
DOI: 10.1063/1.5088895

Carbene–Metal–Amide Bond Deformation, Rather Than Ligand Rotation, Drives Delayed Fluorescence

Autori: Elliot J. Taffet, Yoann Olivier, Frankie Lam, David Beljonne, Gregory D. Scholes
Pubblicato in: The Journal of Physical Chemistry Letters, Numero 9/7, 2018, Pagina/e 1620-1626, ISSN 1948-7185
Editore: American Chemical Society
DOI: 10.1021/acs.jpclett.8b00503

Resilience to Conformational Fluctuations Controls Energetic Disorder in Conjugated Polymer Materials: Insights from Atomistic Simulations

Autori: Vincent Lemaur, Jérôme Cornil, Roberto Lazzaroni, Henning Sirringhaus, David Beljonne, Yoann Olivier
Pubblicato in: Chemistry of Materials, Numero 31/17, 2018, Pagina/e 6889-6899, ISSN 0897-4756
Editore: American Chemical Society
DOI: 10.1021/acs.chemmater.9b01286

Disorder compensation controls doping efficiency in organic semiconductors

Autori: Artem Fediai, Franz Symalla, Pascal Friederich, Wolfgang Wenzel
Pubblicato in: Nature Communications, Numero 10/1, 2019, ISSN 2041-1723
Editore: Nature Publishing Group
DOI: 10.1038/s41467-019-12526-6

26-4: Computer-Aided Optimization of Multilayer OLED Devices

Autori: Franz Symalla, Pascal Friederich, Simon Kaiser, Timo Strunk, Tobias Neumann, Wolfgang Wenzel
Pubblicato in: SID Symposium Digest of Technical Papers, Numero 49/1, 2018, Pagina/e 340-342, ISSN 0097-966X
Editore: Wiley Online Library
DOI: 10.1002/sdtp.12556

Photoluminescence Quenching Probes Spin Conversion and Exciton Dynamics in Thermally Activated Delayed Fluorescence Materials

Autori: Brett Yurash, Hajime Nakanotani, Yoann Olivier, David Beljonne, Chihaya Adachi, Thuc‐Quyen Nguyen
Pubblicato in: Advanced Materials, Numero 31/21, 2019, Pagina/e 1804490, ISSN 0935-9648
Editore: United Nations Industrial Developement Organization
DOI: 10.1002/adma.201804490

Vibrationally Assisted Intersystem Crossing in Benchmark Thermally Activated Delayed Fluorescence Molecules

Autori: Emrys W. Evans, Yoann Olivier, Yuttapoom Puttisong, William K. Myers, Timothy J. H. Hele, S. Matthew Menke, Tudor H. Thomas, Dan Credgington, David Beljonne, Richard H. Friend, Neil C. Greenham
Pubblicato in: The Journal of Physical Chemistry Letters, Numero 9/14, 2018, Pagina/e 4053-4058, ISSN 1948-7185
Editore: American Chemical Society
DOI: 10.1021/acs.jpclett.8b01556

Triplet exciton diffusion in metalorganic phosphorescent host-guest systems from first principles

Autori: Xander de Vries, Pascal Friederich, Wolfgang Wenzel, Reinder Coehoorn, Peter A. Bobbert
Pubblicato in: Physical Review B, Numero 99/20, 2019, ISSN 2469-9950
Editore: American Physical Society
DOI: 10.1103/PhysRevB.99.205201

Efficient and stable single-layer organic light-emitting diodes based on thermally activated delayed fluorescence

Autori: Naresh B. Kotadiya, Paul W. M. Blom, Gert-Jan A. H. Wetzelaer
Pubblicato in: Nature Photonics, 2019, ISSN 1749-4885
Editore: Nature Pub. Group
DOI: 10.1038/s41566-019-0488-1

Built-In Potentials Induced by Molecular Order in Amorphous Organic Thin Films

Autori: Pascal Friederich, Vadim Rodin, Florian von Wrochem, Wolfgang Wenzel
Pubblicato in: ACS Applied Materials & Interfaces, Numero 10/2, 2018, Pagina/e 1881-1887, ISSN 1944-8244
Editore: American Chemical Society
DOI: 10.1021/acsami.7b11762

Trap-Free Space-Charge-Limited Hole Transport in a Fullerene Derivative

Autori: N.B. Kotadiya, P.W.M. Blom, G.A.H. Wetzelaer
Pubblicato in: Physical Review Applied, Numero 11/2, 2019, ISSN 2331-7019
Editore: American Physical Society
DOI: 10.1103/physrevapplied.11.024069

Multiple Charge Transfer States in Donor–Acceptor Heterojunctions with Large Frontier Orbital Energy Offsets

Autori: Saeed-Uz-Zaman Khan, Giacomo Londi, Xiao Liu, Michael A. Fusella, Gabriele D’Avino, Luca Muccioli, Alyssa N. Brigeman, Bjoern Niesen, Terry Chien-Jen Yang, Yoann Olivier, Jordan T. Dull, Noel C. Giebink, David Beljonne, Barry P. Rand
Pubblicato in: Chemistry of Materials, Numero 31/17, 2018, Pagina/e 6808-6817, ISSN 0897-4756
Editore: American Chemical Society
DOI: 10.1021/acs.chemmater.9b01279

19‐4: Boosting OLED Performance with Ab‐initio Modeling of Roll‐off and Quenching Processes

Autori: Franz Symalla, Shahriar Heidrich, Maximilian Kubillus, Timo Strunk, Tobias Neumann, Wolfgang Wenzel
Pubblicato in: SID Symposium Digest of Technical Papers, Numero 50/1, 2019, Pagina/e 259-262, ISSN 0097-966X
Editore: Wiley Online Library
DOI: 10.1002/sdtp.12905

Other (3)

The influence of impurities on the charge carrier mobility of small molecule organic semiconductors

Autori: Pascal Friederich, Artem Fediai, Jing Li, Anirban Mondal, Naresh Kotadiya, Gabriele D'Avino, Franz Symalla, Gert-Jan Wetzelaer, Denis Andrienko, David Beljonne, Paul Blom, Jean-Luc Brédas, Wolfgang Wenzel
Pubblicato in: 2019
Editore: arXiv

Fast electrostatic solvers for kinetic Monte Carlo simulations

Autori: William Robert Saunders, James Grant, Eike Hermann Müller, Ian Thompson
Pubblicato in: 2019
Editore: arXiv

Freeing electrons from extrinsic and intrinsic disorder yields band-like transport in n-type organic semiconductors

Autori: Marc-Antoine Stoeckel, Yoann Olivier, Marco Gobbi, Dmytro Dudenko, Vincent Lemaur, Mohamed Zbiri, Anne Y. Guilbert, Gabriele DAvino, Fabiola Liscio, Nicola Demitri, Xin Jin, Young-Gyun Jeong, Marco Vittorio Nardi, Luca Pasquali, Luca Razzari, David Beljonne, Paolo Samori, Emanuele Orgiu
Pubblicato in: 2019
Editore: arXiv