Table of Contents Author Guidelines Submit a Manuscript
Advances in Condensed Matter Physics
Volume 2015, Article ID 803267, 8 pages
http://dx.doi.org/10.1155/2015/803267
Research Article

Progress in the Characterization of the Surface Species in Activated Carbons by means of INS Spectroscopy Coupled with Detailed DFT Calculations

1Institut Laue-Langevin (ILL), 71 avenue des Martyrs, 38000 Grenoble, France
2Department of Chemistry, NIS Center and INSTM, University of Turin, Via Quarello 15, 10135 Turin, Italy
3Chimet SpA-Catalyst Division, Via di Pescaiola 74, Viciomaggio, 52041 Arezzo, Italy
4Via Firenze 43, Canegrate, 20010 Milano, Italy
5European Synchrotron Radiation Facility (ESRF), 71 avenue des Martyrs, 38000 Grenoble, France
6ISIS Facility, Rutherford Appleton Laboratory, Chilton, Didcot, Oxfordshire OX11 0QX, UK
7Southern Federal University, Zorge Street 5, Rostov-on-Don 344090, Russia

Received 7 May 2015; Accepted 10 August 2015

Academic Editor: Victor V. Moshchalkov

Copyright © 2015 Andrea Piovano et al. This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

Linked References

  1. X. Yu and S. Ye, “Recent advances in activity and durability enhancement of Pt/C catalytic cathode in PEMFC: part I. Physico-chemical and electronic interaction between Pt and carbon support, and activity enhancement of Pt/C catalyst,” Journal of Power Sources, vol. 172, no. 1, pp. 133–144, 2007. View at Publisher · View at Google Scholar
  2. Z. L. Liu, X. Y. Ling, X. D. Su, and J. Y. Lee, “Carbon-supported Pt and PtRu nanoparticles as catalysts for a direct methanol fuel cell,” Journal of Physical Chemistry B, vol. 108, no. 24, pp. 8234–8240, 2004. View at Publisher · View at Google Scholar · View at Scopus
  3. E. Antolini, “Formation of carbon-supported PtM alloys for low temperature fuel cells: a review,” Materials Chemistry and Physics, vol. 78, no. 3, pp. 563–573, 2003. View at Publisher · View at Google Scholar · View at Scopus
  4. U. A. Paulus, A. Wokaun, G. G. Scherer et al., “Oxygen reduction on carbon-supported Pt−Ni and Pt−Co alloy catalysts,” Journal of Physical Chemistry B, vol. 106, no. 16, pp. 4181–4191, 2002. View at Publisher · View at Google Scholar · View at Scopus
  5. E. Auer, A. Freund, J. Pietsch, and T. Tacke, “Carbons as supports for industrial precious metal catalysts,” Applied Catalysis A: General, vol. 173, no. 2, pp. 259–271, 1998. View at Publisher · View at Google Scholar · View at Scopus
  6. T. Wigmans, “Industrial aspects of production and use of activated carbons,” Carbon, vol. 27, no. 1, pp. 13–22, 1989. View at Publisher · View at Google Scholar · View at Scopus
  7. R. Pellegrini, G. Agostini, E. Groppo, A. Piovano, G. Leofanti, and C. Lamberti, “0.5 wt.% Pd/C catalyst for purification of terephthalic acid: irreversible deactivation in industrial plants,” Journal of Catalysis, vol. 280, no. 2, pp. 150–160, 2011. View at Publisher · View at Google Scholar · View at Scopus
  8. E. Antolini, “Palladium in fuel cell catalysis,” Energy & Environmental Science, vol. 2, no. 9, pp. 915–931, 2009. View at Publisher · View at Google Scholar · View at Scopus
  9. E. Groppo, G. Agostini, A. Piovano et al., “Effect of reduction in liquid phase on the properties and the catalytic activity of Pd/Al2O3 catalysts,” Journal of Catalysis, vol. 287, pp. 44–54, 2012. View at Publisher · View at Google Scholar · View at Scopus
  10. G. Agostini, C. Lamberti, R. Pellegrini et al., “Effect of pre-reduction on the properties and the catalytic activity of Pd/carbon catalysts: a comparison with Pd/Al2O3,” ACS Catalysis, vol. 4, no. 1, pp. 187–194, 2014. View at Publisher · View at Google Scholar · View at Scopus
  11. C. Bock, C. Paquet, M. Couillard, G. A. Botton, and B. R. MacDougall, “Size-selected synthesis of PtRu nano-catalysts: reaction and size control mechanism,” Journal of the American Chemical Society, vol. 126, no. 25, pp. 8028–8037, 2004. View at Publisher · View at Google Scholar · View at Scopus
  12. C. L. Bianchi, S. Biella, A. Gervasini, L. Prati, and M. Rossi, “Gold on carbon: influence of support properties on catalyst activity in liquid-phase oxidation,” Catalysis Letters, vol. 85, no. 1-2, pp. 91–96, 2003. View at Publisher · View at Google Scholar · View at Scopus
  13. E. Groppo, S. Bertarione, F. Rotunno et al., “Role of the support in determining the vibrational properties of carbonyls formed on Pd supported on SiO2−Al2O3, Al2O3, and MgO,” Journal of Physical Chemistry C, vol. 111, no. 19, pp. 7021–7028, 2007. View at Publisher · View at Google Scholar · View at Scopus
  14. R. Pellegrini, G. Leofanti, G. Agostini, E. Groppo, M. Rivallan, and C. Lamberti, “Pd-supported catalysts: evolution of support porous texture along Pd deposition and alkali-metal doping,” Langmuir, vol. 25, no. 11, pp. 6476–6485, 2009. View at Publisher · View at Google Scholar · View at Scopus
  15. G. Agostini, R. Pellegrini, G. Leofanti et al., “Determination of the particle size, available surface area, and nature of exposed sites for silica-alumina-supported Pd nanoparticles: a multitechnical approach,” The Journal of Physical Chemistry C, vol. 113, no. 24, pp. 10485–10492, 2009. View at Publisher · View at Google Scholar · View at Scopus
  16. G. Agostini, E. Groppo, A. Piovano, R. Pellegrini, G. Leofanti, and C. Lamberti, “Preparation of supported Pd catalysts: from the Pd precursor solution to the deposited Pd2+ phase,” Langmuir, vol. 26, no. 13, pp. 11204–11211, 2010. View at Publisher · View at Google Scholar · View at Scopus
  17. F. Rodríguez-Reinoso, “The role of carbon materials in heterogeneous catalysis,” Carbon, vol. 36, no. 3, pp. 159–175, 1998. View at Publisher · View at Google Scholar · View at Scopus
  18. A. Centrone, L. Brambilla, T. Renouard et al., “Structure of new carbonaceous materials: the role of vibrational spectroscopy,” Carbon, vol. 43, no. 8, pp. 1593–1609, 2005. View at Publisher · View at Google Scholar · View at Scopus
  19. E. Fuente, J. A. Menéndez, M. A. Díez, D. Suárez, and M. A. Montes-Morán, “Infrared spectroscopy of carbon materials: a Quantum Chemical Study of Model Compounds,” The Journal of Physical Chemistry B, vol. 107, no. 26, pp. 6350–6359, 2003. View at Publisher · View at Google Scholar
  20. C. Moreno-Castilla, M. V. López-Ramón, and F. Carrasco-Marín, “Changes in surface chemistry of activated carbons by wet oxidation,” Carbon, vol. 38, no. 14, pp. 1995–2001, 2000. View at Publisher · View at Google Scholar
  21. J. L. Figueiredo, M. F. R. Pereira, M. M. A. Freitas, and J. J. M. Órfão, “Modification of the surface chemistry of activated carbons,” Carbon, vol. 37, no. 9, pp. 1379–1389, 1999. View at Publisher · View at Google Scholar · View at Scopus
  22. M. J. Iglesias, G. de la Puente, E. Fuente, and J. J. Pis, “Compositional and structural changes during aerial oxidation of coal and their relations with technological properties,” Vibrational Spectroscopy, vol. 17, no. 1–3, pp. 41–52, 1998. View at Publisher · View at Google Scholar · View at Scopus
  23. A. Dandekar, R. T. K. Baker, and M. A. Vannice, “Characterization of activated carbon, graphitized carbon fibers and synthetic diamond powder using TPD and DRIFTS,” Carbon, vol. 36, no. 12, pp. 1821–1831, 1998. View at Publisher · View at Google Scholar · View at Scopus
  24. S. Biniak, G. Szymański, J. Siedlewski, and A. Światkoski, “The characterization of activated carbons with oxygen and nitrogen surface groups,” Carbon, vol. 35, no. 12, pp. 1799–1810, 1997. View at Publisher · View at Google Scholar · View at Scopus
  25. J. K. Walters, R. J. Newport, S. F. Parker, and W. S. Howells, “A spectroscopic study of the structure of amorphous hydrogenated carbon,” Journal of Physics: Condensed Matter, vol. 7, no. 50, 1995. View at Publisher · View at Google Scholar · View at Scopus
  26. F. Rositani, P. L. Antonucci, M. Minutoli, N. Giordano, and A. Villari, “Infrared analysis of carbon blacks,” Carbon, vol. 25, no. 3, pp. 325–332, 1987. View at Publisher · View at Google Scholar · View at Scopus
  27. M. Starsinic, R. L. Taylor, P. L. Walker Jr., and P. C. Painter, “FTIR studies of Saran chars,” Carbon, vol. 21, no. 1, pp. 69–74, 1983. View at Publisher · View at Google Scholar · View at Scopus
  28. P. C. H. Mitchell, A. J. Ramirez-Cuesta, S. F. Parker, and J. Tomkinson, “Inelastic neutron scattering in spectroscopic studies of hydrogen on carbon-supported catalysts-experimental spectra and computed spectra of model systems,” Journal of Molecular Structure, vol. 651-653, pp. 781–785, 2003. View at Publisher · View at Google Scholar · View at Scopus
  29. P. W. Albers, J. Pietsch, J. Krauter, and S. F. Parker, “Investigations of activated carbon catalyst supports from different natural sources,” Physical Chemistry Chemical Physics, vol. 5, no. 9, pp. 1941–1949, 2003. View at Publisher · View at Google Scholar · View at Scopus
  30. P. W. Albers and S. F. Parker, “Inelastic incoherent neutron scattering in catalysis research,” Advances in Catalysis, vol. 51, pp. 99–132, 2007. View at Publisher · View at Google Scholar · View at Scopus
  31. P. J. R. Honeybone, R. J. Newport, J. K. Walters, W. S. Howells, and J. Tomkinson, “Structural properties of amorphous hydrogenated carbon. II. An inelastic neutron-scattering study,” Physical Review B, vol. 50, no. 2, pp. 839–845, 1994. View at Publisher · View at Google Scholar · View at Scopus
  32. F. Fillaux, R. Papoular, A. Lautie, and J. Tomkinson, “Inelastic neutron-scattering study of the proton dynamics in carbons and coals,” Carbon, vol. 32, no. 7, pp. 1325–1331, 1994. View at Publisher · View at Google Scholar · View at Scopus
  33. P. C. H. Mitchell, F. S. Parker, A. J. Ramirez-Cuesta, and J. Tomkinson, Vibrational Spectroscopy with Neutrons, World Scientific, London, UK, 2005.
  34. R. Dovesi, R. Orlando, B. Civalleri, C. Roetti, V. R. Saunders, and C. M. Zicovich-Wilson, “CRYSTAL: a computational tool for the ab initio study of the electronic properties of crystals,” Zeitschrift fur Kristallographie, vol. 220, no. 5-6, pp. 571–573, 2005. View at Publisher · View at Google Scholar · View at Scopus
  35. R. Dovesi, V. R. Saunders, C. Roetti et al., CRYSTAL09 User’s Manual, University of Torino, Torino, Italy, 2009.
  36. A. D. Becke, “Density-functional thermochemistry. III. The role of exact exchange,” The Journal of Chemical Physics, vol. 98, no. 7, pp. 5648–5652, 1993. View at Publisher · View at Google Scholar · View at Scopus
  37. C. T. Lee, W. T. Yang, and R. G. Parr, “Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density,” Physical Review B, vol. 37, no. 2, pp. 785–789, 1988. View at Publisher · View at Google Scholar · View at Scopus
  38. M. F. Peintinger, D. V. Oliveira, and T. Bredow, “Consistent Gaussian basis sets of triple-zeta valence with polarization quality for solid-state calculations,” Journal of Computational Chemistry, vol. 34, no. 6, pp. 451–459, 2013. View at Publisher · View at Google Scholar · View at Scopus
  39. D. D. Johnson, “Modified Broyden’s method for accelerating convergence in self-consistent calculations,” Physical Review B, vol. 38, no. 18, pp. 12807–12813, 1988. View at Publisher · View at Google Scholar · View at Scopus
  40. D. Colognesi, M. Celli, F. Cilloco et al., “TOSCA neutron spectrometer: the final configuration,” Applied Physics A: Materials Science and Processing, vol. 74, no. I, pp. S64–S66, 2002. View at Publisher · View at Google Scholar · View at Scopus
  41. O. Arnold, J. C. Bilheux, J. M. Borreguero et al., “Mantid—data analysis and visualization package for neutron scattering and μ SR experiments,” Nuclear Instruments and Methods in Physics Research Section A: Accelerators, Spectrometers, Detectors and Associated Equipment, vol. 764, pp. 156–166, 2014. View at Publisher · View at Google Scholar
  42. A. J. Ramirez-Cuesta, “aCLIMAX 4.0.1, the new version of the software for analyzing and interpreting INS spectra,” Computer Physics Communications, vol. 157, no. 3, pp. 226–238, 2004. View at Publisher · View at Google Scholar · View at Scopus
  43. S. Parker, INS database, 2015, http://wwwisis2.isis.rl.ac.uk/INSdatabase/Theindex.asp.
  44. C. Ishizaki and I. Marti, “Surface oxide structures on a commercial activated carbon,” Carbon, vol. 19, no. 6, pp. 409–412, 1981. View at Publisher · View at Google Scholar