| Electrocatalysts for the generation of hydrogen, oxygen and synthesis gas FM Sapountzi, JM Gracia, HOA Fredriksson, JWH Niemantsverdriet Progress in Energy and Combustion Science 58, 1-35, 2017 | 604 | 2017 |
| Spin-polarized oxygen evolution reaction under magnetic field X Ren, T Wu, Y Sun, Y Li, G Xian, X Liu, C Shen, J Gracia, HJ Gao, ... Nature Communications 12 (1), 2608, 2021 | 223 | 2021 |
| Spin‐related electron transfer and orbital interactions in oxygen electrocatalysis Y Sun, S Sun, H Yang, S Xi, J Gracia, ZJ Xu Advanced Materials 32 (39), 2003297, 2020 | 220 | 2020 |
| Spin pinning effect to reconstructed oxyhydroxide layer on ferromagnetic oxides for enhanced water oxidation T Wu, X Ren, Y Sun, S Sun, G Xian, GG Scherer, AC Fisher, D Mandler, ... Nature communications 12 (1), 3634, 2021 | 164 | 2021 |
| Corrugated layered heptazine-based carbon nitride: the lowest energy modifications of C 3 N 4 ground state J Gracia, P Kroll Journal of Materials Chemistry 19 (19), 3013-3019, 2009 | 149 | 2009 |
| Spin dependent interactions catalyse the oxygen electrochemistry J Gracia Physical Chemistry Chemical Physics 19 (31), 20451-20456, 2017 | 127 | 2017 |
| Mars-van Krevelen-like mechanism of CO hydrogenation on an iron carbide surface JM Gracia, FF Prinsloo, JW Niemantsverdriet Catalysis letters 133, 257-261, 2009 | 125 | 2009 |
| Ab initio calculations on the local structure and the 4f–5d absorption and emission spectra of Ce3+-doped YAG J Gracia, L Seijo, Z Barandiarán, D Curulla, H Niemansverdriet, ... Journal of luminescence 128 (8), 1248-1254, 2008 | 104 | 2008 |
| Principles determining the activity of magnetic oxides for electron transfer reactions J Gracia, R Sharpe, J Munarriz Journal of Catalysis 361, 331-338, 2018 | 93 | 2018 |
| DFT study of CO and NO adsorption on low index and stepped surfaces of gold A Hussain, DC Ferré, J Gracia, BE Nieuwenhuys, JW Niemantsverdriet Surface Science 603 (17), 2734-2741, 2009 | 89 | 2009 |
| Layered antiferromagnetic ordering in the most active perovskite catalysts for the oxygen evolution reaction T Lim, JW Niemantsverdriet, J Gracia ChemCatChem 8 (18), 2968-2974, 2016 | 63 | 2016 |
| First principles study of C 3 N 4 carbon nitride nanotubes J Gracia, P Kroll Journal of Materials Chemistry 19 (19), 3020-3026, 2009 | 53 | 2009 |
| Photosystem II acts as a spin-controlled electron gate during oxygen formation and evolution Y Jiao, R Sharpe, T Lim, JWH Niemantsverdriet, J Gracia Journal of the American Chemical Society 139 (46), 16604-16608, 2017 | 51 | 2017 |
| Ligand effects in rhodium-catalyzed hydroformylation with bisphosphines: steric or electronic? Y Jiao, MS Torne, J Gracia, JWH Niemantsverdriet, PWNM van Leeuwen Catalysis Science & Technology 7 (6), 1404-1414, 2017 | 49 | 2017 |
| Hydrogen from electrochemical reforming of C1–C3 alcohols using proton conducting membranes FM Sapountzi, MN Tsampas, HOA Fredriksson, JM Gracia, ... International Journal of Hydrogen Energy 42 (16), 10762-10774, 2017 | 46 | 2017 |
| Itinerant spins and bond lengths in oxide electrocatalysts for oxygen evolution and reduction reactions J Gracia The Journal of Physical Chemistry C 123 (15), 9967-9972, 2019 | 45 | 2019 |
| Chemistry of O‐ and H‐Containing Species on the (001) Surface of Anatase TiO2: A DFT Study A Hussain, J Gracia, BE Nieuwenhuys, JW Niemantsverdriet ChemPhysChem 11 (11), 2375-2382, 2010 | 41 | 2010 |
| Strongly correlated electrons in catalysis: focus on quantum exchange C Biz, M Fianchini, J Gracia ACS Catalysis 11 (22), 14249-14261, 2021 | 40 | 2021 |
| Molecular nitrides containing group 4 and 5 metals: Single and double azatitanocubanes A Abarca, MV Galakhov, J Gracia, A Martín, M Mena, JM Poblet, ... Chemistry–A European Journal 9 (10), 2337-2346, 2003 | 40 | 2003 |
| Catalysis Meets Spintronics; Spin Potentials Associated with Open-Shell Orbital Configurations Enhance the Activity of Pt3Co Nanostructures for Oxygen Reduction … C Biz, M Fianchini, J Gracia ACS Applied Nano Materials 3 (1), 506-515, 2020 | 36 | 2020 |
