Publications: Extended systems: solids, surfaces, liquids. Applications (e.g photovoltaics)

Years

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These papers are ordered by article relevance.

Robust organic radical molecular junctions using acetylene terminated groups for C-Au bond formation
Francesc Bejarano, Ignacio Olavarria-Contreras, Andrea Droghetti, Ivan Rungger, Alexander Rudnev, Diego Gutiérrez, Marta Mas-Torrent, Jaume Veciana, Herre van der Zant, Concepció Rovira, Enrique Burzurí, Núria Crivillers
Journal Of The American Chemical Society 140, 1691 (2018)
Sublimable chloroquinolinate lanthanoid single-ion magnets deposited on ferromagnetic electrodes
Sara G. Miralles, Amílcar Bedoya-Pinto, José J. Baldoví, Walter Cañón-Mancisidor, Yoann Prado, Helena Prima-Garcia, Alejandro Gaita-Ariño, Guillermo Minguez Espallargas, Luis E. Hueso, Eugenio Coronado
Chemical Science 9, 199 - 208 (2018)
Ultra-sensitive H2S gas sensors based on p-type WS2 hybrid materials
Georgies Alene Asres, José J. Baldoví, Aron Dombovari, Topias Järvinen, Gabriela Simone Lorite, Melinda Mohl, Andrey Shchukarev, Alejandro Pérez Paz, Lede Xian, Jyri-Pekka Mikkola, Anita Lloyd Spetz, Heli Jantunen, Ángel Rubio, Krisztian Kordas
Nano Research 11 (8 ), 4215 - 4224 (2018)
Large birefringence and linear dichroism in TiS3 nanosheets
Papadopoulos, Nikolaos; Frisenda, Riccardo; Biele, Robert; Flores, Eduardo; Ares, Jose Ramon; Sanchez, Carlos; van der Zant, Herre; Ferrer, Isabel; D'Agosta, Roberto; Castellanos-Gomez, Andres
Nanoscale 10, 12424 (2018)
Long triple carbon chains formation by heat treatment of graphene nanoribbon: Molecular dynamics study with revised Brenner potential
A. S. Sinitsa, I. V. Lebedeva, A. M. Popov, A. A. Knizhnik
Carbon 140, 543 - 556 (2018)
Sublimable Single Ion Magnets based on Lanthanoid Quinolinate Complexes: the role of Intermolecular Interactions on their Thermal Stability
W. Cañon-Mancisidor, S. G. Miralles, G. Mínguez Espallargas, José J. Baldoví, A. Gaita-Ariño, E. Coronado
Inorganic Chemistry Submitted, (2018)
Implementation of slow magnetic relaxation in a SIM-MOF through a structural rearrangement
J. Castells-Gil, José J. Baldoví, C. Martí-Gastaldo, G. Mínguez Espallargas
Dalton Transactions Accepted, (2018)
Non-equilibrium Green's functions for spin transport and dynamics
Ivan Rungger, Andrea Droghetti, Maria Stemanova
Vol. submitted (2018)
Structure and energetics of carbon, hexagonal boron nitride and carbon/hexagonal boron nitride single-layer and bilayer nanoscrolls
A. I. Siahlo, N. A. Poklonski, A. V. Lebedev, I. V. Lebedeva, A. M. Popov, S. A. Vyrko, A. A. Knizhnik, Yu. E. Lozovik
2, 036001 (2018)
Strongly bound excitons in anatase TiO2 single crystals and nanoparticles
E.Baldini,L.Chiodo,A.Dominguez,M. Palummo, S. Moser,M.Yazdi,G.Auböck,B.P. P. Mallett, H.Berger, A. Magrez, C. Bernhard, M.Grioni, A. Rubio, M. Chergui
Nature Communications 8, 13940 (2017)
Creating stable Floquet-Weyl semimetals by laser-driving of 3D Dirac materials
Hannes Hübener, Michael A. Sentef, Umberto De Giovannini, Alexander F. Kemper, Angel Rubio
Nature Communications 8, 13940 (2017)
Impact of the electronic band structure in high-harmonic generation spectra of solids
Nicolas Tancogne-Dejean, Oliver D. Mücke, Franz X. Kärtner, Angel Rubio
Physical Review Letters 118, 087403 (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)
Covalent modification of highly ordered pyrolytic graphite with a stable organic free radical using diazonium chemistry
Gonca Seber, Alexander V. Rudnev, Andrea Droghetti, Ivan Rungger, Jaume Veciana, Marta Mas-Torrent, Concepcio Rovira, Nuria Crivillers
Chemistry-A European Journal 23, 1415 (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)