Inelastic neutron scattering in spectroscopic studies of hydrogen on carbon-supported catalysts-experimental spectra and computed spectra of model systems

Journal of Molecular Structure

Volumn 651-653, Issue , 2003, Pages 781-785

  Mitchell, P C H ^a   Ramirez Cuesta, A J ^b   Parker, S F ^b   Tomkinson, J ^b  

^a UNIVERSITY OF READING   (United Kingdom)

^b RUTHERFORD APPLETON LABORATORY   (United Kingdom)

Author keywords

Carbon; Coronene; Graphite; Inelastic neutron scattering spectroscopy; Pt C catalyst; Spillover hydrogen

Indexed keywords

CARBON; GRAPHITE; HYDROCARBON;

CALCULATION; CATALYST; CHEMICAL BOND; CONFERENCE PAPER; DENSITY FUNCTIONAL THEORY; ELASTICITY; ENERGY; INELASTIC NEUTRON SCATTERING; MOLECULAR MODEL; NEUTRON SCATTERING; SPECTROSCOPY; SURFACE PROPERTY; THEORY; VIBRATION;

EID: 0038070076     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0022-2860(03)00124-8     Document Type: Conference Paper

References (16)

1. P.C.H. Mitchell, Acta Physica Hungarica 75 (1994) 131.
2. Z.A. Bowden, M. Celli, F. Cilloco, D. Colognesi, R.J. Newport, S.F. Parker, F.P. Ricci, V. Rossi-Albertini, F. Sacchetti, J. Tomkinson, M. Zoppi, Physica B 98 (2000) 276.
3. (a) C. Mapelli, C. Castiglioni, G. Zerbi, K. Mullen, Phys Rev B 60 (1999) 12710.
4. (b) H. Ruuska, T.A. Pakkanen, J. Phys. Chem. B 105 (2001) 9541.
5. A.J. Ramirez-Cuesta, P.C.H. Mitchell, S.F. Parker, J. Tomkinson, D. Thompsett, Stud. Surface Sci. Catal. 138 (2001) 55.
6. Gaussian Inc. GAUSSIAN 98, Rev A 6, 1998.
7. J. Tomkinson, A.J. Ramirez-Cuesta, S.F. Parker, D. Champion, a-CLIMAX, A Users Guide to Version 3.0, ISIS Facility, Rutherford Appleton Laboratory, CLRC, Chilton, OX11 0QX, UK.
8. J.B. Foresman, A. Frisch, Exploring Chemistry with Electronic Structure Methods, Second ed., Gaussian, Inc, Pittsburgh, PA, 1996, p. 64.
9. J.K. Walters, R.J. Newport, S.F. Parker, W.S. Howells, J. Phys.: Condens. Matter 7 (1995) 10059 See also ISIS Database of Inelastic Neutron Scattering Spectra at http://www.isis.rl.ac.uk/molecularSpectroscopy.
10. J.K. Walters, R.J. Newport, S.F. Parker, W.S. Howells, J. Phys.: Condens. Matter 7 (1995) 10059 See also ISIS Database of Inelastic Neutron Scattering Spectra at http://www.isis.rl.ac.uk/molecularSpectroscopy.
11. (a) E. de Rouffignac, G.P. Alldredge, F.W. de Wette, Phys. Rev. B. 23 (1981) 4208.
12. (b) A.N. Bekhterev, Optika I Spektroskopiya 60 (1986) 647.
13. (c) T. Jawhari, A. Roid, J. Casado, Carbon 33 (1995) 1561.
14. (d) T.E. Doyle, J.R. Dennison, Phys. Rev. B 51 (1995) 196.
15. (e) A.C. Ferrari, J. Robertson, Phys. Rev. B 61 (2000) 14095..
16. P. Papanek, W.A. Kamitakahara, P. Zhou, J.E. Fischer, J. Phys.: Condens. Matter 13 (2001) 8287.