Prof. Núria López

2024 2023 2022 2021 2020 2019 2018 2017 2016 2015 2014 2013 2012 2011 2010 2009 2008 2007

Strategies to break linear scaling relationships

Pérez-Ramírez, J.; López, N.

Nat. Catal. 2019, 2019, 971–976, DOI: 10.1038/s41929-019-0376-6.
Computational exploration of NO single-site disproportionation on Fe-MOF-5

Jover, J.; Brozek, C. K.; Dinca, M.; Lopez, N.

Chem. Mater. 2019, 31 (21), 8875-8885, DOI: 10.1021/acs.chemmater.9b02910.
Statistical learning goes beyond the d-band model providing the thermochemistry of adsorbates on transition metals

García-Muelas, R.; López, N.

GO TO OPEN ACCESS Nat. Commun. 2019, 10, 4687, DOI: 10.1038/s41467-019-12709-1.
The Versatile Nature of Oxygen Vacancies Inbismuth Vanadate Bulk and (001) Surface

Hegner, F. S.; Forrer, D.; Galan-Mascaros, J. R.; Lopez, N.; Selloni, A.

J. Phys. Chem. Lett. 2019, 10 (21), 6672-6678, DOI: 10.1021/acs.jpclett.9b02552.
The Volcano Trend in Electrocatalytic CO2 Reduction Activity over Atomically-Dispersed Metal Sites on Nitrogen-Doped Carbon

Li, J.; Prslja, P.; Shinagawa, T.; Martin-Fernandez, A. J.; Krumeich, F.; Artyushkova, K.; Atanassov, P.; Zitolo, A.; Zhou, Y.; García-Muelas, R.; Lopez, N.; Pérez-Ramírez, J.; Jaouen, F.

ACS Catal. 2019, 9 (11), 10426-10439, DOI: 10.1021/acscatal.9b02594.

* Among the most read articles in November 2019
Halogen‐Dependent Surface Confinement Governs Selective Alkane Functionalization to Olefins

Zichittella, G.; Scharfe, M.; Puértolas, B.; Paunović, V.; Hemberger, P.; Bodi, A.; Szentmiklósi, L.; López, N.; Pérez‐Ramírez, J.

Angew. Chem. Int. Ed. 2019, 58 (19), 5877-5881, DOI: 10.1002/anie.201811669.
Mechanistic origin of the diverging selectivity patterns in catalyzed ethane and ethene oxychlorination

Scharfe, M.; Zichittella, G.; Kondratenko, V. A.; Kondratenko, E. V.; López, N.; Pérez-Ramírez, J.

J. Catal. 2019, 377, 233-244, DOI: 10.1016/j.jcat.2019.07.021.
Reaction mechanisms at the homogeneous–heterogeneous frontier: Insights from first-principles studies on ligand-decorated metal nanoparticles

Ortuno, M. A.; López, N.

Catal. Sci. Technol. 2019, 9, 5173-5185, DOI: 10.1039/C9CY01351B.
Boosting Photoelectrochemical Water Oxidation of Hematite in Acidic Electrolytes by Surface State Modification

Tang, P.Y.; Han, L.J.; Simone Hegner, F.; Paciok, P.; Biset‐Peiró, M.; Du, H.C.; Wei, X.K.; Jin, L.; Xie, H.B.; Shi, Q.; Andreu, T.; Lira‐Cantú, M.; Heggen, M.; Dunin‐Borkowski, R. E.; López, N.; Galán‐Mascarós, J.R.; Ramon Morante, J.; Arbiol, J.

COVER Adv. Energy Mater. 2019, 9 (34), 1901836, DOI: 10.1002/aenm.201901836.
Dynamic charge and oxidation state of Pt/CeO2 single-atom catalysts

Daelman, N.; Capdevila-Cortada, M.; López, N.

Nat. Mater. 2019, 18, 1215–1221, DOI: 10.1038/s41563-019-0444-y.
Atomic-scale engineering of indium oxide promotion by palladium for methanol production via CO2 hydrogenation

Frei, M. S.; Mondelli, C.; García-Muelas, R.; Kley, K. S.; Puértolas, B.; López, N.; Safonova, O. V.; Stewart, J. A.; Curulla Ferré, D.; Pérez-Ramírez, J.

GO TO OPEN ACCESS Nat. Commun. 2019, 10, 3377, DOI: 10.1038/s41467-019-11349-9.
Mechanistic Insights into the Ceria-Catalyzed Synthesis of Carbamates as Polyurethane Precursors

Puértolas, B.; Rellán-Piñeiro, M.; Núñez-Rico, J. L.; Amrute, A. P; Vidal-Ferran, A.; Lopez, N.; Pérez-Ramírez, J.; Wershofen, S.

ACS Catal. 2019, 9 (9), 7708-7720, DOI: 10.1021/acscatal.9b02086.
Direct magnetic enhancement of electrocatalytic water oxidation in alkaline media

Garcés-Pineda, F. A.; Blasco-Ahicart, M.; Nieto-Castro, D.; López, N.; Galán-Mascarós, J. R.

Nat. Energy 2019, 4, 519–525, DOI: 10.1038/s41560-019-0404-4.

* Highlighted in Chemistry World and C&EN
Chirality Transfer in Gold Nanoparticles by L-Cysteine Amino Acid: A First-Principles Study

Morales-Vidal, J.; Lopez, N.; Ortuño, M. A.

J. Phys. Chem. C 2019, 123 (22), 13758-13764, DOI: 10.1021/acs.jpcc.9b02918.
Gas reactions under intrapore condensation regime within tailored metal–organic framework catalysts

Agirrezabal-Telleria, I.; Luz, I.; Ortuño, M. A.; Oregui-Bengoechea, M.; Gandarias, I.; López, N.; Lail, M. A.; Soukri, M.

GO TO OPEN ACCESS Nat. Commun. 2019, 10, 2076, DOI: 10.1038/s41467-019-10013-6.
Atom‐by‐Atom Resolution of Structure‐Function Relations over Low‐Nuclearity Metal Catalysts

Vorobyeva, E.; Fako, E.; Chen, Z.; Collins, S. M.; Johnstone, D.; Midgley, P. A.; Hauert, R.; Safonova, O.; Vilé, G.; López, N.; Mitchell, S.; Pérez-Ramírez, J.

Angew. Chem. Int. Ed. 2019, 131 (26), 8816-8821, DOI: 10.1002/ange.201902136.

*Highlighted in ChemViews Magazine
Enhancing Electrostatic Interactions to Activate Polar Molecules: Ammonia Borane Methanolysis on Cu/Co(OH)2 Nanohybrid

Chen, Q. Q.; Li, Q.; Hou, C. C.; Wang, C.; Peng, C. Y.; Lopez, N.; Chen, Y.

Catal. Sci. Technol. 2019, 9, 2828-2835, DOI: 10.1039/C9CY00584F.
Supramolecular Coordination of Pb2+ Defects in Hybrid Lead Halide Perovskite Films Using Truxene Derivatives as Lewis Base Interlayers

Aktas, E.; Jiménez-López, J.; Rodríguez‐Seco, C.; Pudi, R.; Ortuño, M. A.; López, N.; Palomares, E. J.

ChemPhysChem 2019, 20 (20), 2702-2711, DOI: 10.1002/cphc.201900068.
Atomically thin metal films on foreign substrates – from lattice mismatch to electrocatalytic activity

Pasti, I. A.; Fako, E.; Dobrota, A.; Lopez, N.; Skorodumova, N. V.; Mentus, S. V.

ACS Catal. 2019, 9 (4), 3467-3481, DOI: 10.1021/acscatal.8b04236.
Ensemble Design in Nickel Phosphide Catalysts for Alkyne Semi‐Hydrogenation

Albani, D.; Karajovic, K.; Tata, B.; Li, Q.; Mitchell, S.; López, N.; Pérez‐Ramírez, J.

COVER GO TO OPEN ACCESS ChemcatChem 2019, 11 (1), 457-464, DOI: 10.1002/cctc.201801430.
Selective Electrochemical Nitrogen Reduction Driven by Hydrogen Bond Interactions at Metal−Ionic Liquid Interfaces

Ortuño, M. A.; Holloćzki, O.; Kirchner, B.; Loṕez, N.

J. Phys. Chem. Lett. 2019, 10, 513-517, DOI: 10.1021/acs.jpclett.8b03409.
Unraveling Charge Transfer in CoFe Prussian Blue Modified BiVO4 Photoanodes

Moss, B.; Simone Hegner, F.; Corby, S.; Selim, S.; Francàs, L.; López, N.; Giménez, S.; Galán-Mascarós, J. R.; Durrant, J. R.

GO TO OPEN ACCESS ACS Energy Lett. 2019, 4, 337-342, DOI: 10.1021/acsenergylett.8b02225.
Controlling the speciation and reactivity of carbon-supported gold nanostructures for catalysed acetylene hydrochlorination

Kaiser, S. K.; Lin, R.; Mitchell, S.; Fako, E.; Krumeich, F.; Hauert, R.; Safonova, O. V.; Kondratenko, V.A.; Kondratenko, E. V.; Collins, S. M.; Midgley, P. A.; López, N.; Pérez-Ramírez, J.

COVER GO TO OPEN ACCESS J. Chem. Sci 2019, 10, 359-369, DOI: 10.1039/C8SC03186J.
Design of Single Gold Atoms on Nitrogen‐Doped Carbon for Molecular Recognition in Alkyne Semi‐Hydrogenation

Lin, R.; Albani, D.; Fako, E.; Kaiser, S. K.; Safonova, O. V.; López, N.; Pérez‐Ramírez, J.

COVER Angew. Chem. Int. Ed. 2019, 58 (2), 504-509, DOI: 10.1002/anie.201813083.
Developments in the atomistic modelling of catalytic processes for the production of platform chemicals from biomass

López, N.; García-Muelas, R.; Rellán-Piñeiro, M.; Li, Q.

GO TO OPEN ACCESS ChemCatChem 2019, 11 (1), 357-367, DOI: 10.1002/cctc.201801271.

Research