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

Years

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These papers are ordered by article influence.

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)
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)
Polyyne electronic and vibrational properties under environmental interactions
Marius Wanko, Seymur Cahangirov, Lei Shi, Philip Rohringer, Zachary J. Lapin, Lukas Novotny, Paola Ayala, Thomas Pichler, Angel Rubio
Physical Review B 94, 195422 (2016)
Dislocations in stacking and commensurate-incommensurate phase transition in bilayer graphene and hexagonal boron nitride
Irina V. Lebedeva, Alexander V. Lebedev, Andrey M. Popov, Andrey A. Knizhnik
Physical Review B 93, 235414 (2016)
Disentangling Vacancy Oxidation on Metallicity-Sorted Carbon Nanotubes
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
Journal Of Physical Chemistry C 120 (32), pp 18316–18322 (2016)
Theoretical Insight into the Internal Quantum Efficiencies of Polymer/C60 and Polymer/SWNT Photovoltaic Devices
Livia Noemi Glanzmann, Duncan John Mowbray
Journal Of Physical Chemistry C 120, 6336 - 6343 (2016)
Interlayer interaction and related properties of bilayer hexagonal boron nitride: ab initio study
Alexander V. Lebedev, Irina V. Lebedeva, Andrey A. Knizhnik, Andrey M. Popov
RSC Advances 6, 6423 - 6435 (2016)
Tailored pump-probe transient spectroscopy with time-dependent density-functional theory: controlling absorption spectra
J. Walkenhorst, U.De Giovannini, A.Castro, A. Rubio
European Physical Journal B 89, 128 (2016)
Anisotropic electronic, mechanical and optical properties of monolayer WTe2
E. Torun, H. Sahin, S. Cahangirov, A. Rubio,, F. M. Peeters
Journal Of Applied Physics 119, 074307 (2016)