Publications: Modelling stability of organic phosphorescent light-emitting diodes (MOSTOPHOS)


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These papers are ordered by article influence.

Formation of nickel clusters wrapped in carbon cages: towards new endohedral metallofullerene synthesis
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
Nano Letters 17, 1082 - 1089 (2017)
Atoms and Molecules in Cavities: From Weak to Strong Coupling in QED Chemistry
Johannes Flick,Michael Ruggenthaler,Heiko Appel, Angel Rubio
Proceedings Of The National Academy Of Sciences Of The United States Of America 114, 3026 - 3034 (2017)
A first principles TDDFT framework for spin and time-resolved ARPES in periodic systems
Umberto De Giovannini, Hannes Hübener, Angel Rubio
Journal Of Chemical Theory And Computation 13 (1), 265 - 273 (2017)
Stacking in incommensurate graphene/hexagonal-boron-nitride heterostructures based on \textit{ab initio} study of interlayer interaction
Alexander V. Lebedev, Irina V. Lebedeva, Andrey M. Popov, Andrey A. Knizhnik
Physical Review B 96, 085432 (2017)
h-AlN-Mg(OH)2 vdW Bilayer Heterostructure: Tuning the excitonic characteristics
C. Bacaksiz,A. Dominguez,A. Rubio,R. T. Senger,, H. Sahin
Physical Review B 95, 075423 (2017)
Transformation of Amorphous Carbon Clusters to Fullerenes
Alexander S. Sinitsa, Irina V. Lebedeva , Andrey M. Popov , Andrey A. Knizhnik
Journal Of Physical Chemistry C 121, 13396 - 13404 (2017)
Comparison of performance of van der Waals-corrected exchange-correlation functionals for interlayer interaction in graphene and hexagonal boron nitride
Irina V. Lebedeva, Alexander V. Lebedev, Andrey M. Popov, Andrey A. Knizhnik
Computational Materials Science 128, 45 - 58 (2017)
Efficient and accurate modeling of electron photoemission in nanostructures with TDDFT
Philipp Wopperer, Umberto De Giovannini, Angel Rubio
European Physical Journal B 90:51, (2017)
Edge stacking dislocations in two-dimensional bilayers with a small lattice mismatch
Irina V. Lebedeva, Andrey A. Knizhnik, Andrey M. Popov
Physica E 90, 49 - 54 (2017)
Ballistic spin transport in the presence of interfaces with strong spin-orbit coupling
Juan Borge, Ilya Tokatly
On the exciton coupling between two chlorophyll pigments in the absence of a protein environment: Intrinsic effects revealed from theory and experiment
Dr. Bruce F. Milne, Christina Kjær, Jørgen Houmøller, Dr.Mark H. Stockett, Dr. Yoni Toker, Prof. Angel Rubio,, Prof. Steen Brøndsted Nielsen
Angewandte Chemie International Edition 128, 6356 - 6359 (2016)
The mechanical bond on carbon nanotubes: diameter-selective functionalization and effects on physical properties
Martínez-Periñán, Emiliano, de Juan, Alberto, Pouillon, Yann, Schierl, Christoph, Strauss, Volker, Martín, Nazario, Rubio, Ángel, Guldi, Dirk M., Lorenzo, Encarnación, Pérez, Emilio M.
Nanoscale 8, 9254 - 9264 (2016)
Negative plasmon dispersion in 2H-NbS2 beyond charge-density-wave interpretation
Pierluigi Cudazzo, Eric Múller, Carsten Habenicht, Matteo Gatti, Helmuth Berger, Martin Knupfer,Angel Rubio, Simo Huotari
New Journal Of Physics 18, 103050 (2016)
Recent developments in the ABINIT software package
X. Gonze, F. Jollet, F. Abreu Araujo, D. Adams, B. Amadon, T. Applencourt, C. Audouze, J.-M. Beuken, J. Bieder, A. Bokhanchuk, E. Bousquet, F. Bruneval, D. Caliste, M. C\^ot\'e, F. Dahm, F. Da Pieve, M. Delaveau, M. Di Gennaro, B. Dorado, C. Espejo, G. Geneste, L. Genovese, A. Gerossier, M. Giantomassi, Y. Gillet, D. R. Hamann, L. He, G. Jomard, J. Laflamme Janssen, S. Le Roux, A. Levitt, A. Lherbier, F. Liu, Luka\vcevi\'c, A. Martin, C. Martins, M. J. T. Oliveira, S. Ponc\'e, Y. Pouillon, T. Rangel, G.-M. Rignanese, A. H. Romero, B. Rousseau, O. Rubel, A. A. Shukri, M. Stankovski, M. Torrent, M. J. van Setten, B. Van Troeye, M. J. Verstraete, D. Waroquier, J. Wiktor, B Xu, A. Zhou, J. W. Zwanziger
Computer Physics Communications 205, 106 - 131 (2016)
Stable monolayer honeycomb-like structures of RuX2 (X = S, Se)
Ersan, Fatih; Cahangirov, Seymur; Gokoglu, Gokhan; et al.
Physical Review B 94, 155415 (2016)