Juan María García Lastra
Juan María García Lastra
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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
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
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
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
Bandgap calculations and trends of organometal halide perovskites
IE Castelli, JM García-Lastra, KS Thygesen, KW Jacobsen
APL Materials 2 (8), 2014
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
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
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
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
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), 2010
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
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
Renormalization of optical excitations in molecules near a metal surface
JM Garcia-Lastra, KS Thygesen
Physical Review Letters 106 (18), 187402, 2011
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
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
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), 2018
Multi‐Electron Reactions Enabled by Anion‐Based Redox Chemistry for High‐Energy Multivalent Rechargeable Batteries
Z Li, BP Vinayan, P Jankowski, C Njel, A Roy, T Vegge, J Maibach, ...
Angewandte Chemie International Edition 59 (28), 11483-11490, 2020
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
A perspective on inverse design of battery interphases using multi-scale modelling, experiments and generative deep learning
A Bhowmik, IE Castelli, JM Garcia-Lastra, PB Jørgensen, O Winther, ...
Energy Storage Materials 21, 446-456, 2019
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
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