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


These papers are ordered by article relevance.

TiS3 Transistors with Tailored Morphology and Electrical Properties
Joshua O. Island, Mariam Barawi, Robert Biele, Adrián Almazán, José M. Clamagirand, José R. Ares, Carlos Sánchez, Herre S. J. van der Zant, José V. Álvarez, Roberto D'Agosta, Isabel J. Ferrer, Andres Castellanos-Gomez
Advanced Materials 27, 2595 - 2601 (2015)
Design of two-photon molecular tandem architectures for solar cells by ab initio theory
Kristian Baruël Ørnsø, Juan Maria Garcia-Lastra, Gema de la Torre,F. J. Himpsel, Angel Rubio, Kristian Sommer Thygesen
Chemical Science 6, 3018 - 3025 (2015)
Conditional Born-Oppenheimer Dynamics: Quantum Dynamics Simulations for the Model Porphine
Guillermo Albareda,Josep Maria Bofill,Ivano Tavernelli,Fermin Huarte-Larrañaga,Francesc Illas, Angel Rubio
Journal Of Physical Chemistry Letters 6, 1529 - 1535 (2015)
Comparing Quasiparticle H2O Level Alignment on Anatase and Rutile TiO2
Huijuan Sun, Duncan J. Mowbray, Annapaola Migani, Jin Zhao, Hrvoje Petek, Angel Rubio
ACS Catalysis 5, 4242 - 4254 (2015)
Quasiparticle interfacial level alignment of highly hybridized frontier levels: H2O on TiO2(110)
Annapaola Migani, Duncan J. Mowbray, Jin Zhao, Hrvoje Petek
Journal Of Chemical Theory And Computation 11, 239 - 251 (2015)
Current-induced spin polarization at the surface of metallic films: a theorem and an ab initio calculation
I. V. Tokatly, E. E. Krasovskii, G. Vignale
Physical Review B 91, 035403 (2015)
Calculation of the graphene C 1s core level binding energy
Toma Susi, Duncan J. Mowbray, Mathias P. Ljungberg, Paola Ayala
Physical Review B 91, 081401(R) (2015)
Using G0W0 Level Alignment to Identify Catechol's Structure on TiO2(110)
Duncan J. Mowbray, Annapaola Migani
Journal Of Physical Chemistry C 119, 19634 - 19641 (2015)
Exciton dispersion in molecular solids
Pierluigi Cudazzo, Francesco Sottile, Angel Rubio,, Matteo Gatti
Journal Of Physics-Condensed Matter 27, 113204 (2015)
Effect of a Single Water Molecule on the Electronic Absorption by o- and p-Nitrophenolate: A Shift to the Red or to the Blue?
Jørgen Houmøller,Marius Wanko,Angel Rubio, Steen Brøndsted Nielsen
Journal Of Physical Chemistry A 119, Issue 47, 11498 - 11503 (2015)
Bonding in Molecular Crystals from the Local Electronic Pressure Viewpoint
V. G. Tsirelson, A. I. Stash, I. V. Tokatly
Molecular Physics 114 (Issue 7-8, 2016 Special Issue: Special Issue in honour of Andreas Savin), 1260 - 1269 (2015)
Electronic Bandgap and Exciton Binding Energy of Layered Semiconductor TiS3
Aday J. Molina-Mendoza, Mariam Barawi, Robert Biele, Eduardo Flores, José R. Ares, Carlos Sánchez, Gabino Rubio-Bollinger, Nicolás Agraït, Roberto D'Agosta, Isabel J. Ferrer, Andres Castellanos-Gomez
Advanced Electronic Materials 1, (2015)
Superlubricity in Layered Nanostructures
Seymur Cahangirov, Salim Ciraci
Springer International Publishingp. 463 - 487 (2015)