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


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These papers are ordered by article relevance.

Artificially stacked atomic layers: towards new van der Waals solids
Guanhui Gao, Wei Gao, E. Cannuccia, Jaime Taha-Tijerina, Luis Balicas, Akshay Mathkar, T.N. Narayanan, Zhen Liu, Bipin K. Gupta, Juan Peng, Yansheng Yin, Angel Rubio, Pulickel M. Ajayan
Nano Letters 12, 3518 - 3525 (2012)
Density-functional Theory for f-electron Systems: the α-γ Phase Transition in Cerium
M. Casadei, X. Ren, P. Rinke, A. Rubio, M. Scheffler
Physical Review Letters 109, 146402 (2012)
Physical and chemical nature of the scaling relations between adsorption energies of atoms on metal surfaces
F. Calle-Vallejo, J.I. Martínez, J.M. García-Lastra, J. Rossmeisl, M.T.M. Koper
Physical Review Letters 108, 116103 (2012)
Nonuniform scaling applied to surface energies of transition metals
L. Chiodo, L. A. Constantin, E. Fabiano, F. Della Sala
Physical Review Letters 108, 126402 (2012)
Understanding periodic dislocations in 2D supramolecular crystals: the PFP/Ag(111) interface
E. Goiri, J. M. García-Lastra, M. Corso, Z. M. Adb El-Fattah, J. E. Ortega, D. G. de Oteyza
Journal Of Physical Chemistry Letters 3, 848 - 852 (2012)
Enhanced excitonic effects in the energy loss spectra of LiF and Ar at large momentum transfer
S. Sharma, J.K. Dewhurst, A. Sanna, A. Rubio, E.K.U. Gross
New Journal Of Physics 14, 053052 (2012)
Wannier functions approach to van der Waals interactions in ABINIT
Espejo, C., Rangel, T., Pouillon, Y., Romero, A.H., Gonze, X.
Computer Physics Communications 183, 480 - 485 (2012)
Origin of the enhanced catalytic activity of MoS2 nanowires
X. Lopez-Lozano, S. Botti, M.A.L. Marques, S. Mejia, M. Jose Yacaman, A. Rubio
Physical Review B (submitted), (2012)
Plasmon dispersion in layered transition-metal dichalcogenides
P. Cudazzo, M. Gatti, A. Rubio
Physical Review B 86, 075121 (2012)
Inversed linear dichroism in F K-edge NEXAFS spectra of fluorinated planar aromatic molecules.
D. G. de Oteyza, A. Sakko, A. El-Sayed, E. Goiri, L. Floreano, A. Cossaro, J. M. García-Lastra, A. Rubio, J. E. Ortega
Physical Review B 86, 075469 (2012)
Role of non-local exchange in the electronic structure of correlated oxides
F. Iori, M. Gatti, A. Rubio
Physical Review B 85, 115129 (2012)
Challenges in truncating the hierarchy of time-dependent reduced density matrices equations
A. Akbari, M. J. Hashemi, A. Rubio, R. M. Nieminen,, R. van Leeuwen
Physical Review B 85, 235121 (2012)
Internal electric fields and color shift in Cr3+-based gemstones
J. A. Aramburu, P. Garcia-Fernandez, J. M. García-Lastra, M. T. Barriuso, M. Moreno
Physical Review B 85, 245118 (2012)
Insulators containing CuCl4X22- (X = H2O, NH3) units: Origin of the orthorhombic distortion observed only for CuCl4(H2O)22-
P. García-Fernández, J. M. García-Lastra, A. Trueba, M.T. Barriuso, J.A. Aramburu, M. Moreno
Physical Review B 094110 (2012)
Scanning Tunneling Microscopy Evidence for the Dissociation of Carbon Monoxide on Ruthenium Steps
Yann Tison, Kenneth Nielsen, Duncan J. Mowbray, Lone Bech, Christian Holse, Federico Calle-Vallejo, Kirsten Andersen, Jens J. Mortensen, Karsten W. Jacobsen,, Jane H. Nielsen
Journal Of Physical Chemistry C 116, 14350 - 14359 (2012)