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Computational studies on materials for organic light-emitting diodes (OLEDs)

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Homochiral Emissive Λ 8 - and Δ 8 -[Ir 8 Pd 4 ] 16+ Supramolecular Cages

Author(s): Diego Rota Martir, Daniel Escudero, Denis Jacquemin, David B. Cordes, Alexandra M. Z. Slawin, Herbert A. Fruchtl, Stuart L. Warriner, Eli Zysman-Colman
Published in: Chemistry - A European Journal, Issue 23/57, 2017, Page(s) 14358-14366, ISSN 0947-6539
DOI: 10.1002/chem.201703273

Modeling the Photochrome–TiO 2 Interface with Bethe–Salpeter and Time-Dependent Density Functional Theory Methods

Author(s): Daniel Escudero, Ivan Duchemin, Xavier Blase, Denis Jacquemin
Published in: The Journal of Physical Chemistry Letters, Issue 8/5, 2017, Page(s) 936-940, ISSN 1948-7185
DOI: 10.1021/acs.jpclett.7b00015

The short device lifetimes of blue PhOLEDs: insights into the photostability of blue Ir( iii ) complexes

Author(s): Denis Jacquemin, Daniel Escudero
Published in: Chem. Sci., Issue 8/11, 2017, Page(s) 7844-7850, ISSN 2041-6520
DOI: 10.1039/C7SC03905K

Facial and Meridional Isomers of Tris(bidentate) Ir(III) Complexes: Unravelling Their Different Excited State Reactivity

Author(s): Sylvio Arroliga-Rocha, Daniel Escudero
Published in: Inorganic Chemistry, Issue 57/19, 2018, Page(s) 12106-12112, ISSN 0020-1669
DOI: 10.1021/acs.inorgchem.8b01675

Thermal equilibration between excited states or solvent effects: unveiling the origins of anomalous emissions in heteroleptic Ru( ii ) complexes

Author(s): Denis Jacquemin, Daniel Escudero
Published in: Physical Chemistry Chemical Physics, Issue 20/17, 2018, Page(s) 11559-11563, ISSN 1463-9076
DOI: 10.1039/C8CP01101J

General Approach To Compute Phosphorescent OLED Efficiency

Author(s): Xu Zhang, Denis Jacquemin, Qian Peng, Zhigang Shuai, Daniel Escudero
Published in: The Journal of Physical Chemistry C, Issue 122/11, 2018, Page(s) 6340-6347, ISSN 1932-7447
DOI: 10.1021/acs.jpcc.8b00831