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Juan María García Lastra
Juan María García Lastra
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Cited by
Year
Graphene on metals: A van der Waals density functional study
M Vanin, JJ Mortensen, AK Kelkkanen, JM Garcia-Lastra, KS Thygesen, ...
Physical Review B 81 (8), 081408, 2010
5152010
Fast prediction of adsorption properties for platinum nanocatalysts with generalized coordination numbers
F Calle‐Vallejo, JI Martínez, JM García‐Lastra, P Sautet, D Loffreda
Angewandte Chemie International Edition 53 (32), 8316-8319, 2014
3472014
Self-energy and excitonic effects in the electronic and optical properties of TiO 2 crystalline phases
L Chiodo, JM García-Lastra, A Iacomino, S Ossicini, J Zhao, H Petek, ...
Physical Review B 82 (4), 045207, 2010
2742010
Polarization-induced renormalization of molecular levels at metallic and semiconducting surfaces
JM Garcia-Lastra, C Rostgaard, A Rubio, KS Thygesen
Physical Review B 80 (24), 245427, 2009
2592009
Bandgap calculations and trends of organometal halide perovskites
IE Castelli, JM García-Lastra, KS Thygesen, KW Jacobsen
APL Materials 2 (8), 081514, 2014
2042014
Physical and chemical nature of the scaling relations between adsorption energies of atoms on metal surfaces
F Calle-Vallejo, JI Martínez, JM García-Lastra, J Rossmeisl, MTM Koper
Physical review letters 108 (11), 116103, 2012
2002012
DFT+U Study of Polaronic Conduction in Li2O2 and Li2CO3: Implications for Li–Air Batteries
JM Garcia-Lastra, JSG Myrdal, R Christensen, KS Thygesen, T Vegge
The Journal of Physical Chemistry C 117 (11), 5568-5577, 2013
1652013
Stability and Electronic Properties of TiO2 Nanostructures With and Without B and N Doping
DJ Mowbray, JI Martinez, JM García Lastra, KS Thygesen, KW Jacobsen
The Journal of Physical Chemistry C 113 (28), 12301-12308, 2009
1342009
How covalence breaks adsorption-energy scaling relations and solvation restores them
F Calle-Vallejo, A Krabbe, JM García-Lastra
Chemical science 8 (1), 124-130, 2017
1172017
Copper-phthalocyanine based metal–organic interfaces: The effect of fluorination, the substrate, and its symmetry
DG De Oteyza, A El-Sayed, JM Garcia-Lastra, E Goiri, TN Krauss, A Turak, ...
The Journal of chemical physics 133 (21), 214703, 2010
1122010
Renormalization of optical excitations in molecules near a metal surface
JM Garcia-Lastra, KS Thygesen
Physical Review Letters 106 (18), 187402, 2011
1112011
Microscopic insight into properties and electronic instabilities of impurities in cubic and lower symmetry insulators: the influence of pressure
M Moreno, MT Barriuso, JA Aramburu, P Garcia-Fernandez, ...
Journal of Physics: Condensed Matter 18 (17), R315, 2006
1052006
Oxygen reduction and evolution at single-metal active sites: Comparison between functionalized graphitic materials and protoporphyrins
F Calle-Vallejo, JI Martínez, JM García-Lastra, E Abad, MTM Koper
Surface science 607, 47-53, 2013
1032013
Trends in stability of perovskite oxides
F Calle‐Vallejo, JI Martínez, JM García‐Lastra, M Mogensen, J Rossmeisl
Angewandte Chemie International Edition 49 (42), 7699-7701, 2010
962010
Machine learning-based screening of complex molecules for polymer solar cells
PB Jørgensen, M Mesta, S Shil, JM García Lastra, KW Jacobsen, ...
The Journal of chemical physics 148 (24), 241735, 2018
872018
Density functional theory based screening of ternary alkali-transition metal borohydrides: A computational material design project
JS Hummelshøj, DD Landis, J Voss, T Jiang, A Tekin, N Bork, M Du³ak, ...
The Journal of chemical physics 131 (1), 014101, 2009
822009
Does the breaking of adsorption-energy scaling relations guarantee enhanced electrocatalysis?
N Govindarajan, JM García-Lastra, EJ Meijer, F Calle-Vallejo
Current Opinion in Electrochemistry 8, 110-117, 2018
782018
Quantization of Hall Resistance at the Metallic Interface between an Oxide Insulator and
F Trier, GEDK Prawiroatmodjo, Z Zhong, DV Christensen, M von Soosten, ...
Physical Review Letters 117 (9), 096804, 2016
722016
Spectrochemical Series and the Dependence of Racah and 10Dq Parameters on the Metal−Ligand Distance: Microscopic Origin
A Trueba, P Garcia-Fernandez, JM Garcia-Lastra, JA Aramburu, ...
The Journal of Physical Chemistry A 115 (8), 1423-1432, 2011
652011
Application of the density functional theory derived orbital-free embedding potential to calculate the splitting energies of lanthanide cations in chloroelpasolite crystals
M Zbiri, M Atanasov, C Daul, JM Garcia-Lastra, TA Wesolowski
Chemical physics letters 397 (4-6), 441-446, 2004
642004
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Articles 1–20