Recent Publications

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Palladium clusters, free and supported on surfaces, and applications in hydrogen storage. J.A. Alonso, M.J. López, Physical Chemistry Chemical Physics 24, 2729-2751(2022) https://doi.org/10.1039/D1CP03524J

Effects of van der Waals interactions on the structure and stability of Cu8−x Pdx (x=0, 4, 8) cluster isomers, A. Luna-Valenzuela, J. L. Cabellos, J. A. Alonso, A. Posada-Amarillas, Materials Today Communications, 26, 102024 (2021). https://doi.org/10.1016/j.mtcomm.2021.102024

Adsorption of transition metal clusters on Boron-graphdiyne, E. Germán, A. Alvarez-Yenes, J. A. Alonso, M. J. López, Applied Surface Science, 548, 149270 (2021). https://doi.org/10.1016/j.apsusc.2021.149270

Interaction of hydrogen with Palladium-Copper nanoalloys, A. Gómez Herranz, E. Germán, J. A. Alonso, M. J. López, Theoretical Chemistry Accounts, 140, 35 (2021). https://doi.org/10.1007/s00214-021-02737-w

C60Con complexes as hydrogen adsorbing materials, E. Germán, J. A. Alonso, E. Janssens, M. J. López, International Journal of Hydrogen Energy, 46, 20594-20606 (2021). https://doi.org/10.1016/j.ijhydene.2021.03.179

Absence of spillover of hydrogen adsorbed on small palladium clusters anchored to graphene vacancies, A. Granja-DelRío, M. Alducin, J. I. Juaristi, M. J. López, J. A. Alonso, Applied Surface Science, 559, 149835 (2021). https://doi.org/10.1016/j.apsusc.2021.149835

Ultra-stable nanofluid containing functionalized-carbon dots for heat transfer enhancement in water/ethylene glycol systems: Experimental and DFT studies, S. Askari, E. Ettefaghi, A. Rashidi, A. Seif, J. A. Rudd, J. A. Alonso, and S. Khodabakhshi, Energy Reports, 7, 4222-4234 (2021). https://doi.org/10.1016/j.egyr.2021.07.001

Structure, stability and optical absorption spectra of small TinCx clusters: a first-principles approach, S. Gámez-Valenzuela, J. A. Alonso, G. Santoro, J. I. Martínez, Monthly Notices of the Royal Astronomical Society, 508, 5074-5091 (2021). https://doi.org/10.1093/mnras/stab2735

Hydrogen interaction with tungsten disulfide nanostructures, A. Laikhtman, A. Zak, J. I. Martínez, J. A. Alonso, Proceedings of the 2021 IEEE 2nd KhPI Week on Advanced Technology, 714-719 (2021). https://doi.org/10.1109/KhPIWeek53812.2021.9570070

Effect of silver coating on the optical, morphological, PL and cristal structure of Ag– TiO2 thin films, S. Mahnaee, M. S. Hadavi, H. R. Azizi, Optical Materials, 115, 111056 (2021). https://doi.org/10.1016/j.optmat.2021.111056

Carbon based materials: a review of adsorbents for inorganic and organic compounds, M. M. Sabzehmeidani, S. Mahnaee, M. Ghaedi, H. Heidari, V. A. L. Roy, Materials Advances, 2, 598 (2021). https://doi-org/10.1039/D0MA00087F

Ab initio studies of propene oxide formation at gold nanocatalysts supported on anatase-TiO2, L. M. Molina, J. A. Alonso, Molecular Catalysis, 486, 110855 (2020). https://doi.org/10.1016/j.mcat.2020.110855

Dimerization of pentacyclopentacorannulene C30H10 as a strategy to produce C60H20 as a precursor for C60, A. Richaud, M. J. López, M. Mojica, J. A. Alonso, F. Méndez, RSC Advances, 10, 3689-3693 (2020). https://doi-org/10.1039/C9RA09804F

Reactivity of cobalt-fullerene complexes towards deuterium, J. Vanbuel, E. Germán, G. Libeert, K. Veys, J. Moens, J. A. Alonso, M. J. López, E. Janssens, ChemPhysChem, 21, 1012–1018 (2020). https://doi.org/10.1002/cphc.202000146

Nanoalloys of metals which do not form bulk alloys: The case of Ag−Co. P. Marín, J. A. Alonso, E. Germán, M. J. López, Journal of Physical Chemistry A, 124, 6468−6477 (2020). https://doi.org/10.1021/acs.jpca.0c02991

Cathodoluminescence in single and multiwall WS2 nanotubes: Evidence for quantum confinement and strain effect, S. Ghosh, V. Brüser, I. Kaplan-Ashiri, R. Popovitz-Biro, S. Peglow, J. I. Martínez, J. A. Alonso, A. Zak, Applied Physics Reviews, 7, 041401 (2020). https://doi.org/10.1063/5.0019913

Interaction of hydrogen with graphitic surfaces, clean and doped with metal clusters, J. A. Alonso, M. J. López, Handbook of Materials Modeling. Applications: Current and Emerging Materials. Editors W. Andreoni, S. Yip. Springer Nature Switzerland. 545-566 (2020). https://doi.org/10.1007/978-3-319-44680-6_32

Why are MoS2 monolayers not a good catalyst for the oxygen evolution reaction? E. German, R. Gebauer, Applied Surface Science, 528, 146591 (2020). https://doi.org/10.1016/j.apsusc.2020.146591

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  • Manipulating the magnetic moment of palladium clusters by adsorption and dissociation of molecular hydrogen. María J. López; María Blanco-Rey; J. I. Juaristi; Maite Alducin; Julio A. Alonso. Journal of Physical Chemistry C. 121, pp. 20756 – 20762. ACS, 04/09/2017.
  • Adsorption and growth of palladium clusters on graphdiyne. A. Seif; María J. López; Alejandra Granja-Del Río; K. Azizi; Julio A. Alonso. Physical Chemistry Chemical Physics. 219, pp. 19094 – 19102. Royal Society of Chemistry, 07/2017.
  • Interaction of aromatic molecules with small gold clusters. L. M. Molina; M. J. López; J. A. Alonso. Chemical Physics Letters. 684, pp. 91 – 96. Elsevier, 15/06/2017.
  • Structural prediction of graphitization and porosity in carbide-derived carbons.
    C. de Tomás, I. Suarez-Martínez, F. Vallejos-Burgos, M.J. López, K. Kaneko, and N.A. Marks, Carbon 119, 1-9 (2017).
  • Searching for DFT-based methods that include dispersion interactions to calculate the physisorption of H2 on benzene and graphene. I. Cabria; M. J. López; J. A. Alonso. Journal of Chemical Physics. 146, pp. 214104:1 -214104:11. American Institute of Physics, 01/06/2017.
  • Hydrogen Chemical Configuration and Thermal Stability in Tungsten Disulfide Nanoparticles Exposed to Hydrogen Plasma.A. Laikhtan; G. Makrinich; M. Sezen; M. M. Yildizhan; J. I. Martínez; D. Dinescu; M. Prodana; M. Enachescu; J. A. Alonso; A. Zak.  Journal of Physical Chemistry C. 121, pp. 11747 – 11756. ACS, 01/05/2017.
  • Competition between Palladium Clusters and Hydrogen to Saturate Graphene Vacancies. A. Granja Del Río; J. A. Alonso; M.J. López. Journal of Physical Chemistry C. 121, pp. 1843 – 1850. ACS, 17/02/2017.
  • Controlling CO adsorption on Pt clusters by dopant-induced charge transfer. P. Ferrari; Luis M. Molina; V. E. Kaydashev; Julio A. Alonso; P. Lievens. Belgian Physical Society Magazine. N2, pp. 12 – 18. Belgian Physical Society, 2017.
  • Steric and chemical effects on the hydrogen adsorption and dissociation on free and graphene–supported palladium clusters. A. Granja Del Río; J. A. Alonso; M. J. López. Computational and Theoretical Chemistry. 1107, pp. 23 – 29. Elsevier, 2017.
  • Controlling the adsorption of carbon monoxide on platinum clusters by dopant-induced electronic structure modification. P. Ferrari; L. M. Molina; V. E. Kaydashev; J. A. Alonso; P. Lievens; E. Janssens; P. Lievens. Angewandte Chemie International Edition. 55, pp. 11059 – 11063. Wiley, 28/07/2016.
  • Is spillover relevant for hydrogen adsorption and storage in porous carbons doped with palladium nanoparticles?. Maria Blanco Rey; J. I. Juaristi; M. Alducin; M. J. López; J. A. Alonso. Journal of Physical Chemistry C. 120, pp. 17357 – 17364. ACS, 19/07/2016.
  • The Diels-Alder cycloaddition reaction of substituted hemifullerenes with 1,3-butadiene: effect of electron-donating and electron-withdrawing substituents. Julio A. Alonso; Martha V. Mojica; Francisco Méndez. Molecules. 21, pp. 200:1 – 200:12. MDPI, 2016.