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Laura Barrio-Pliego

Research Associate

Chemistry Division
Building 555
Brookhaven National Laboratory
P.O. Box 5000
Upton, NY 11973-5000

Phone: (631) 344-4317
FAX:    (631) 344-5815

Catalysis: Reactivity and Structure


Ph. D. Chemistry (awarded “Cum Laude”), Universidad Autonoma de Madrid, 2007
Master Degree at Department of Applied Physical Chemistry, Universidad Autonoma de Madrid, 2002
Bachelor in Chemistry (Quantum Chemistry), Universidad Autonoma de Madrid, 2000

Research Experience

Postdoctoral Research Associate - Brookhaven National Laboratory (BNL)
Department of Chemistry, May 2008 – present.
Research Scientist, Instituto de Catalisis y Petroleoquimica (CSIC)
Catalysts Structure and Activity Group, December 2002 – May 2008
Graduate Student -Universidad Autonoma de Madrid
Department of Applied Physical Chemistry, September 1999 – December 2002

Research Interests

In situ characterization of catalysts by X-ray diffraction and X-ray absorption spectroscopy.
Computational modeling of metallic clusters, solid surfaces and their chemical reactivity.
Novel catalysts and support preparation methodologies.

Selected Publications

  1. “DFT Study of Ionization Potentials for Aza-substituted aromatic rings” L. Barrio, J. Catalán, José L. G. de Paz. Int. J. Quantum Chem., 2003, 91, 432-437
  2. “Analysis of Solvent Effects on the Properties of Singlet Oxygen” J. Catalán, C. Díaz, L. Barrio; Chem. Phys., 2004, 300, 33-39.
  3. “A DFT Study of the Dissociation of H2 on Gold Clusters: Importance of Fluxionality and Ensemble Effects” L. Barrio, P. Liu, J. A. Rodriguez, J. M. Campos-Martin, J. L. G. Fierro; J. Chem. Phys., 2006, 125, 164715
  4. “Structure directed grafting of Ti on periodic nanoporous silica for epoxidation catalysts” L. Barrio, J. M. Campos-Martín, J. L. G. Fierro; M. P. de Frutos-Escrig, Microporous and Mesoporous Materials, 2008, 113, 542
  5. “Alkene epoxidation with ethylbenzene hydroperoxides using molybdenum heterogeneous catalysts” L. Barrio, J. M. Campos-Martín, M. P. de Frutos-Escrig, J. L. G. Fierro; Ind. Eng. Chem. Res., 2008, 47, 8016–8024
  6. “Gold, Copper, and Platinum Nanoparticles Dispersed on CeOx/TiO2(110) Surfaces: High Water-Gas Shift Activity and the Nature of the Mixed-Metal Oxide at the Nanometer Level” J. B. Park, J. Graciani, J. Evans, D. Stacchiola, S. D. Senanayake, L. Barrio, P. Liu, J. Fdez. Sanz, J. Hrbek,J. A. Rodriguez. J. Am. Chem. Soc., 2010, 132, 356-363
  7. “Unraveling the Active Site in Copper-Ceria Systems for the Water-Gas Shift Reaction: In Situ Characterization of an Inverse Powder CeO2-x/CuO-Cu Catalyst” L. Barrio, M. Estrella, G. Zhou, W. Wen, J. C. Hanson, A. B. Hungria, A. Hornes, M. Fernandez-Garcia, A. Martinez-Arias, J. A. Rodriguez, J. Phys. Chem. C, 2010, DOI: 10.1021/jp910342b

A complete and updated list of publications can be found at