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

Years

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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)
A TDDFT-based study on the proton-DNA collision
R.Seraide,M.A.Bernal,G.Brunetto,U.De Giovannini, A.Rubio
Journal Of Physical Chemistry B 121 (30), 7276 - 7283 (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)