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


These papers are ordered by article relevance.

Comment on "Huge Excitonic Effects in Layered Hexagonal Boron Nitride"
L. Wirtz, A. Marini, M. Grüning, C. Attaccalite, G. Kresse, A. Rubio
Physical Review Letters 100, 189701 (2008)
Electron-Electron Correlation in Graphite: A Combined Angle-Resolved Photoemission and First-Principles Study
A. Grüneis, C. Attaccalite, T. Pichler, V. Zabolotnyy, H. Shiozawa, S.L. Molodtsov, D. Inosov, A. Koitzsch, M. Knupfer, J. Schiessling, R. Follath, R. Weber, P. Rudolf, L. Wirtz, A. Rubio
Physical Review Letters 100, 37601 - 4 (2008)
Zinc porphyrin - driven assembly of gold nanofingers
V. Arima, R. I. R. Blyth, F. Matino, L. Chiodo, F. Della Sala, J. Thompson, T. Regier, R. Del Sole, G. Mele, G. Vasapollo, R. Cingolani, R. Rinaldi
Small 4, 497 - 506 (2008)
Tight--binding description of the quasiparticle dispersion of graphite and few--layer graphene
A. Grüneis, C. Attaccalite, L. Wirtz, H. Shiozawa, R. Saito, T. Pichler, A. Rubio
Physical Review B 78, 205425 - 16 (2008)
Cluster-surface and cluster-cluster interactions: ab initio calculations and modelling of Van der Waals forces
S. Botti, A. Castro, X. Andrade, A. Rubio, M.A.L. Marques
Physical Review B 78, 35333 - 10 (2008)
Influence of internal electric fields on bonding and properties of impurities in insulators: Mn2+ in LiBaF3 and in normal perovskites
A. Trueba, J.M. García-Lastra, M.T. Barriuso, J.A. Aramburu, M. Moreno
Physical Review B 78, 75108 (2008)
Impact of the electron-electron correlation on phonon dispersions: failure of LDA and GGA functionals in graphene and graphite
M. Lazzeri, C. Attaccalite, L. Wirtz, F. Mauri
Physical Review B 78, 81406 (2008)
Microscopic origin of the different colors displayed by MgAl2O4:Cr3+ and emerald
J.M García-Lastra, M.T. Barriuso, J.A.Aramburu, M.Moreno
Physical Review B 78, 85117 (2008)
Nature of the Fe4/2 centre in KTaO3: A density functional theory study
A. Trueba, P. García-Fernández, J.M. García-Lastra, M.T. Barriuso, J.A. Aramburu, M. Moreno
Physical Review B 78, 85122 (2008)
Ultrafast Electron-Phonon Decoupling in Graphite
K. Ishioka, M. Hase, M. Kitajima, L. Wirtz, A. Rubio, H. Petek
Physical Review B 77, 121402 - 4 (2008)
Pressure effects on CrCl63- embedded in cubic Cs2NaMCl6 (M= Sc, Y) lattices: study through periodic and cluster calculations
J. M. García-Lastra, M.Moreno, M.T.Barriuso
Journal of Chemical Physics 128, 144708 (2008)
Comment on “Local Lattice Structure Study of the Octahedral (CrO6)9- Clusters for Cr3+ Ion Doping in a Variety of Oxide Crystals by Simulating the Corresponding EPR and Optical Spectra”
J. M. García-Lastra, M. T. Barriuso, J. A. Aramburu, M. Moreno
Journal Of Physical Chemistry A 112, 10435 (2008)
Preparation and electronic properties of potassium doped graphite single crystals
A. Grüneis, C. Attaccalite, A. Rubio, S.L. Molodtsov, D.V. Vyalikh, J. Fink, R. Follath, T. Pichler
Physica Status Solidi B 245, 2072 (2008)
Oxidation of CO and H2 by O2 and N2O on Au/TiO2 catalysts in microreactors
G. Walther, D.J. Mowbray, T. Jiang, G. Jones, S. Jensen, U.J. Quaade, S. Horch
Journal Of Catalysis 260, 86 - 92 (2008)
On the application of the bond transferability postulate to transition metal complexes: Study of FeF63- and FeOF54- centres in KMgF3
J.M García-Lastra, M.T. Barriuso, J.A. Aramburu, M.Moreno
Applied Magnetic Resonance 34, 149 (2008)