Prof. Núria López

‘A heterogeneous single-atom palladium catalyst surpassing homogeneous systems for Suzuki coupling’
Z. Chen, E. Vorobyeva, S. Mitchell, E. Fako, M. A. Ortuño, N. López, S. M. Collins, P. A. Midgley, S. Richard, G. Vilé, J. Pérez-Ramírez
Nature Nanotechnology 2018, 13, 702–707

‘Selective ensembles in supported palladium sulfide nanoparticles for alkyne semi-hydrogenation’
D. Albani, M. Shahrokhi, Z. Chen, S. Mitchell, R. Hauert, N. López, J. Pérez-Ramírez
Nat. Commun 2018, 2634

‘Single-atom heterogeneous catalysts based on distinct carbon nitride scaffolds’
Z. Chen, E. Vorobyeva, S. Mitchell, E. Fako, N. López, S. M. Collins, R. K. Leary, P. A. Midgley, R. Hauert, J. Pérez-Ramírez
Natl. Sci. Rev. 2018, 5 (5), 642-652

‘The role of computational results databases in accelerating the discovery of catalysts’
C. Bo, F. Maseras, N. López
Nature Catalysis 2018, 809–810

‘Visible and near-infrared organic photosensitizers comprising isoindigo derivatives as chromophores: synthesis, optoelectronic properties and factors limiting their efficiency in dye solar cells’
C. Aumaitre; C. Rodriguez-Seco; J. Jover; O. Bardagot; F. Caffy; Y. Kervella; N. Lopez; E. Palomares; R. Demadrille
J. Mater. Chem. A 2018, 10074-10084

‘Lattice mismatch as the descriptor of segregation, stability and reactivity of supported thin catalyst films’
E. Fako; A. S. Dobrota; I. A. Pasti; N. Lopez; S. V. Mentus; N. V. Skorodumova
Phys. Chem. Chem. Phys. 2018, 1524-1530

‘Creating Cavities at Palladium–Phosphine Interfaces for Enhanced Selectivity in Heterogeneous Biomass Conversion’
M. A. Ortuno; N. Lopez
ACS Catal. 2018, 8 (7), 6138–6145

‘One Oxygen Vacancy, Two Charge States: Characterization of Reduced alpha-MoO3(010) through Theoretical Methods’
M. Rellan-Pineiro; N. Lopez
J. Phys. Chem. Lett. 2018, 9 (10), 2568–2573

‘Evidence of radical chemistry in catalytic methane oxybromination’
V. Paunovic; P. Hemberger; A. Bodi; N. Lopez; J. Perez-Ramirez
Nat. Catal. 2018, 363–370

‘Chirality, Rigidity, and Conjugation: A First-Principles Study of the Key Molecular Aspects of Lignin Depolymerization on Ni-Based Catalysts’
Q. Li; N. Lopez
ACS Catal. 2018, 8 (5), 4230–4240

‘Mechanism and microkinetics of methanol synthesis via CO2 hydrogenation on indium oxide’
M. S. Frei; M. Capdevila-Cortada; R. Garcia-Muelas; C. Mondelli; N. Lopez; J. A. Stewart; D. C. Ferre; J. Perez-Ramirez
J. Catal. 2018, 361, 313-321

‘Mechanism of Ethylene Oxychlorination on Ceria’
M. Scharfe; M. Capdevila-Cortada; V. A. Kondratenko; E. V. Kondratenko; S. Colussi; A. Trovarelli; N. Lopez; J. Perez-Ramirez
ACS Catal. 2018, 8 (4), 2651–2663

‘Initial Stages in the Formation of Nickel Phosphides’
R. Garcia-Muelas; Q. Li; N. Lopez
J. Phys. Chem. B, 2018, 122 (2), 672–678

‘Origin of the Selective Electroreduction of Carbon Dioxide to Formate by Chalcogen Modified Copper’
R. García-Muelas, F. Dattila, T. Shinagawa, A. J Martín, J. Pérez-Ramírez, N. Lopez
J. Phys. Chem. Lett. 2018, 9 (24), 7153-7159

‘Prevalence of trans-Alkenes in Hydrogenation Processes on Metal Surfaces: A Density Functional Theory Study’
J. Navarro-Ruiz, D. Cornu, N. López
J. Phys. Chem. C 2018, 122 (44), 25339–25348

‘A Coupled Density Functional Theory–Microkinetic Modeling for the Hydrodeoxygenation of Glycerol to Propylene on MoO3’
M. Rellán-Piñeiro, N. López
ACS Sustainable Chem. Eng. 2018, 6 (12), 16169-16178