Selective Propene Epoxidation on Immobilized Au6–10 Clusters: The Effect of Hydrogen and Water on Activity and Selectivity S Lee, LM Molina, MJ López, JA Alonso, B Hammer, B Lee, S Seifert, ... Angewandte Chemie International Edition 48 (8), 1467-1471, 2009 | 318 | 2009 |
Enhancement of hydrogen physisorption on graphene and carbon nanotubes by Li doping I Cabria, MJ López, JA Alonso The Journal of chemical physics 123 (20), 204721, 2005 | 310 | 2005 |
Interaction of molecular and atomic hydrogen with (5, 5) and (6, 6) single-wall carbon nanotubes JS Arellano, LM Molina, A Rubio, MJ López, JA Alonso The Journal of chemical physics 117 (5), 2281-2288, 2002 | 249 | 2002 |
The optimum average nanopore size for hydrogen storage in carbon nanoporous materials I Cabria, MJ López, JA Alonso Carbon 45 (13), 2649-2658, 2007 | 210 | 2007 |
Structural and dynamical properties of Cu–Au bimetallic clusters MJ López, PA Marcos, JA Alonso The Journal of chemical physics 104 (3), 1056-1066, 1996 | 151 | 1996 |
Theoretical study of the transition from planar to three-dimensional structures of palladium clusters supported on graphene I Cabria, MJ López, JA Alonso Physical Review B 81 (3), 035403, 2010 | 148 | 2010 |
Novel polygonized single-wall carbon nanotube bundles MJ Lopez, A Rubio, JA Alonso, LC Qin, S Iijima Physical review letters 86 (14), 3056, 2001 | 148 | 2001 |
Adsorption and Dissociation of Molecular Hydrogen on Palladium Clusters Supported on Graphene I Cabria, MJ López, S Fraile, JA Alonso The Journal of Physical Chemistry C 116 (40), 21179-21189, 2012 | 125 | 2012 |
From graphene oxide to pristine graphene: revealing the inner workings of the full structural restoration R Rozada, JI Paredes, MJ López, S Villar-Rodil, I Cabria, JA Alonso, ... Nanoscale 7 (6), 2374-2390, 2015 | 122 | 2015 |
Density functional calculations of hydrogen adsorption on boron nanotubes and boron sheets I Cabria, MJ López, JA Alonso Nanotechnology 17 (3), 778, 2006 | 114 | 2006 |
Electronic and atomic structure of Na, Mg, Al and Pb clusters MP Iñiguez, MJ Lopez, JA Alonso, JM Soler Zeitschrift für Physik D Atoms, Molecules and Clusters 11 (2), 163-174, 1988 | 112 | 1988 |
Fragmentation of atomic clusters: A theoretical study MJ López, J Jellinek Physical Review A 50 (2), 1445, 1994 | 94 | 1994 |
Transferability in interatomic potentials for carbon C de Tomas, A Aghajamali, JL Jones, DJ Lim, MJ López, ... Carbon 155, 624-634, 2019 | 91 | 2019 |
Structural prediction of graphitization and porosity in carbide-derived carbons C de Tomas, I Suarez-Martinez, F Vallejos-Burgos, MJ López, K Kaneko, ... Carbon 119, 1-9, 2017 | 87 | 2017 |
Simulation of the hydrogen storage in nanoporous carbons with different pore shapes I Cabria, MJ López, JA Alonso International Journal of Hydrogen Energy 36 (17), 10748-10759, 2011 | 86 | 2011 |
Palladium Clusters Anchored on Graphene Vacancies and Their Effect on the Reversible Adsorption of Hydrogen MJ López, I Cabria, JA Alonso The Journal of Physical Chemistry C 118 (10), 5081-5090, 2014 | 84 | 2014 |
Density functional study of molecular hydrogen coverage on carbon nanotubes I Cabria, MJ Lopez, JA Alonso Computational materials science 35 (3), 238-242, 2006 | 83 | 2006 |
Magnetic moments of Ni clusters F Aguilera-Granja, S Bouarab, MJ López, A Vega, ... Physical Review B 57 (19), 12469, 1998 | 83 | 1998 |
Hydrogen storage in pure and Li-doped carbon nanopores: Combined effects of concavity and doping I Cabria, MJ López, JA Alonso The Journal of chemical physics 128 (14), 144704, 2008 | 78 | 2008 |
Hydrogen storage capacities of nanoporous carbon calculated by density functional and Møller-Plesset methods I Cabria, MJ López, JA Alonso Physical Review B 78 (7), 075415, 2008 | 71 | 2008 |