Prof. Angel Rubio - Publications

Years

These papers are ordered by article relevance. This list contains only the publications related to the Nano-bio Spectroscopy Group and might not be the complete list of the author.

Combined experimental and ab initio study of the electronic structure of narrow-diameter single-wall carbon nanotubes with predominant (6,4),(6,5) chirality
K. De Blauwe, D. J. Mowbray, Y. Miyata, P. Ayala, H. Shiozawa, A. Rubio, P. Hoffmann, H. Kataura, T. Pichler
Physical Review B 82, 125444 (2010)
Modeling nanoscale gas sensors under realistic conditions: Computational screening of metal-doped carbon nanotubes
J. M. García-Lastra, D.J. Mowbray, K. S. Thygesen, A. Rubio, K.W. Jacobsen
Physical Review B 81, 245429 (2010)
Double Bond versus Triple Bond Bridges – Does it Matter for the Charge-Transfer Absorption by Donor-Acceptor Chromophores?
Maj-Britt Suhr Kirketerp, Michael Åxman Petersen, Marius Wanko, Henning Zettergren, Angel Rubio, Mogens Brøndsted Nielsen, Steen Brøndsted Nielsen
Chemphyschem 11, 2495 - 2498 (2010)
Physical meaning of the natural orbitals: Analysis of exactly solvable models
N. Helbig, I.V. Tokatly, A. Rubio
Physical Review A 81, 022504 (2010)
Basis set effects on the hyperpolarizability of CHCl3: Gaussian-type orbitals, numerical basis sets and real-space grids
F. D. Vila, D. A. Strubbe, Y. Takimoto, X. Andrade, A. Rubio, S. G. Louie, J.J. Rehr
Journal of Chemical Physics 133, 034111 (2010)
Systematic shifts of the LUMO peak in x-ray absorption for a series of 3d metal porphyrins
J.M. García-Lastra, P. L. Cook, F. J. Himpsel, A. Rubio
Journal of Chemical Physics 133, 151103 (2010)
Time-dependent density functional approach for the calculation of inelastic x-ray scattering spectra of molecules
A. Sakko, A. Rubio , M. Hakala , K. Hämäläinen
Journal of Chemical Physics 133, 174111 (2010)
Copper-phthalocyanine based metal-organic interfaces: the effect of fluorination, the substrate and its symmetry
D. G. de Oteyza, A. El-Sayed, J. M. García-Lastra, E. Goiri, T. N. Krauss, A. Turak, E. Barrena. H. Dosch, J. Zegenhagen, A. Rubio, Y. Wakayama, J. E. Ortega
Journal of Chemical Physics 133, 214703 (2010)
Communications: Nanomagnetic shielding: High-resolution NMR in carbon allotropes
Y. Kim, E. Abou-Hamad, A. Rubio, T. Wågberg, A. V. Talyzin, D. Boesch, S. Aloni, A. Zettl, D. E. Luzzi,, C. Goze-Bac
Journal of Chemical Physics 132, 021102 (2010)
Carbon nanotube based sensors and fluctuation enhanced sensing
A. Kukovecz, D. Molnár, K. Kordás, Z. Gingl, H. Moilanen, R. Mingesz, Z. Kónya, J. Mäklin, N. Halonen, G. Tóth, H. Haspel, P. Heszler, M. Mohl, A. Sápi, S. Roth, R. Vajtai, P.M. Ajayan, Y. Pouillon, A. Rubio, I. Kiricsi
Physica Status Solidi B 7, 1217 - 1221 (2010)
Designing multifunctional chemical sensors using Ni and Cu doped carbon nanotubes
D.J. Mowbray, J.M. García-Lastra, K.S. Thygesen, A. Rubio, K.W. Jacobsen
Physica Status Solidi B 247, 2678 - 2682 (2010)
A combined photoemission and ab initio study of the electronic structure of (6,4)/(6,5) enriched single wall carbon nanotubes
Katrien De Blauwe, Yasumitsu Miyata, Paola Ayala, Hide Shiozawa, Duncan J. Mowbray, Angel Rubio, P. Hoffmann, Hiromichi Kataura, Thomas Pichler
Physica Status Solidi B 247, 2875 - 2879 (2010)
Ab initio modelling of the excited state dynamics of clusters and nanostructures with time-dependent density-functional theory: linear and nonlinear regimes
J.A. Alonso, A. Castro, A. Rubio
Nanoclusters ard Nanostructured Surfaces, American Scientific Publishersp. 79 - 142 (2010)
Tailoring electronic and optical properties of TiO2: nanostructuring, doping and molecular-oxide interactions
Letiza Chiodo, Juan María García-Lastra, Duncan John Mowbray, Amilcare Iacomino, Angel Rubio
Computational Studies of New Materials II: From Ultrafast Processes and Nanostructures to Optoelectronics, Energy Storage and Nanomedicine, Ed. T. F. George, D. Jelski, R. R. Letfullin and G. Zhang, World Scientific, Hackensack, NJ p. 301 - 330 (2010)
Renormalization of Molecular Quasiparticle Levels at Metal-Molecule Interfaces: Trends across Binding Regimes
K.S. Thygesen, A. Rubio
Physical Review Letters 102, 46802 (2009)