Vibrational EELS and DFT study of propionic acid and pyruvic acid on Ni(1 0 0): Effects of keto group substitution on room-temperature adsorption and thermal chemistry

Applied Surface Science

Volumn 252, Issue 10, 2006, Pages 3647-3657

  Yang, X ^a   He, Z H ^a   Zhou, X J ^a   Xu, S H ^a   Leung, K T ^a  

^a UNIVERSITY OF WATERLOO   (Canada)

Author keywords

Density Functional Theory; Electron energy loss spectroscopy; Ni(1 0 0); Propionic acid; Pyruvic acid

Indexed keywords

ADSORPTION; ANNEALING; ELECTRON ENERGY LOSS SPECTROSCOPY; FREQUENCIES; NICKEL COMPOUNDS; PROBABILITY DENSITY FUNCTION; TEMPERATURE DISTRIBUTION; THERMAL EFFECTS;

DENSITY FUNCTIONAL THEORY; NI(1 0 0); PROPIONIC ACID; PYRUVIC ACID;

CARBOXYLIC ACIDS;

EID: 32644466394     PISSN: 01694332     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.apsusc.2005.05.047     Document Type: Article

References (42)

1. S.V. Chong, and H. Idriss Surf. Sci. 504 2002 145
2. E.W. Scharpf, and J.B. Benziger J. Phys. Chem. 97 1987 5531
3. R.D. Haley, M.S. Tikhov, and R.M. Lambert Catal. Lett. 76 2001 125
4. S. Berchmans, P.J. Thomas, and C.N.R. Rao J. Phys. Chem. B 106 2002 4647
5. J.R.B. Gomes, and J.A.N.F. Gomes Surf. Sci. 432 1999 279
6. S.M. York, S. Haq, K.V. Kilway, J.M. Philips, and F.M. Leibsle Surf. Sci. 522 2003 34
7. T.S. Jones, M.R. Ashton, and N.V. Richardson J. Chem. Phys. 90 1989 7564
8. R.J. Madix, J.L. Gland, G.E. Mitchell, and B.A. Sexton Surf. Sci. 125 1983 481
9. J.L. Davis, and M.A. Barteau Langmuir 5 1989 1299
10. N.R. Avery J. Vac. Sci. Technol. 20 1982 592
11. J.B. Benziger, and R.J. Madix Surf. Sci. 79 1979 394
12. S. Haq, J.G. Love, H.E. Sanders, and D.A. King Surf. Sci. 325 1995 230
13. A. Yamakata, J. Kubota, J.N. Kondo, C. Hirose, K. Domen, F. Wakabayashi, and K. Tamaru Surf. Sci. 433-435 1999 210
14. T. Yuzawa, T. Shioda, J. Kubota, K. Onda, A. Wada, K. Domen, and C. Hirose Surf. Sci. 416 1998 L1090
15. T. Yuzawa, J. Kubota, K. Onda, A. Wada, K. Domen, and C. Hirose J. Mol. Struct. 413 1997 307
16. P.E. Hintze, S. Aloisio, and V. Vaida Chem. Phys. Lett. 343 2001 159
17. A.J.L. Cooper, J.Z. Ginos, and A. Meister Chem. Rev. 83 1983 321
18. J. Sherman, D. Luciano, and A.J. Vander Human Physiology: The mechanisms of body functions seventh ed. 1998 WCB McGraw-Hill New York
19. X. Yang, G. Orlova, X.J. Zhou, and K.T. Leung Chem. Phys. Lett. 380 2003 34
20. D.E. Tallman, and D.L. Leussing J. Am. Chem. Soc. 91 1969 6253
21. S. Devdas, R.R. Mallik, R. Coast, and P.N. Henriksen Surf. Sci. 326 1995 327
22. A. Rochefort, and P. McBreen J. Phys. Chem. A 105 2001 1320
23. R.I. Bickley, H.G.M. Edwards, R. Gustar, and S.J. Rose J. Mol. Struct. 248 1991 237
24. D.Q. Hu, C.D. MacPherson, and K.T. Leung Solid State Commum. 78 1991 1077
25. H. Yu, D.Q. Hu, and K.T. Leung J. Vac. Sci. Technol. A 15 1997 2653
26. D.Q. Hu, Ph.D. Thesis, University of Waterloo, Waterloo, 1993.
27. H. Yu, and K.T. Leung Surf. Sci. 432 1999 245
28. N. Vasquez, A.J. Muscat, and R.J. Madix Surf. Sci. 301 1994 83
29. Wyandotte-ASTM Punched Card Project, Index of Mass Spectral Data, listed by molecular weight and the four strongest peaks, first ed., American Society for Testing and Materials, Philadelphia, 1963.
30. R.J. Jakobsen, Y. Mikawa, J.R. Allkins, and G.L. Carlson J. Mol. Struct. 10 1971 305
31. H. Hollenstein, F. Akermann, and H.H. Gunthard Spectrochim. Acta 34A 1978 1041
32. M. Kiakihana, and M. Okamoto J. Phys. Chem. 88 1984 1797
33. H. Ibach, and D.L. Mills Electron Energy Loss Spectroscopy and Surface Vibrations 1982 Academic New York
34. S.S. Tavale, L.M. Pant, and A.B. Biswas Acta Cryst. 14 1961 1281
35. A.D. Becke Phys. Rev. A38 1988 3098
36. C. Lee, W. Yang, and R.G. Parr Phys. Rev. B37 1988 785
37. M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, V.G. Zakrzewski, J.A. Montgomery, R.E. Stratmann, J.C. Burant, S. Dapprich, J.M. Millam, A.D. Daniels, K.N. Kudin, M.C. Strain, O. Farkas, J. Tomasi, V. Barone, M. Cossi, R. Cammi, B. Mennucci, C. Pomelli, C. Adamo, S. Clifford, J. Ochterski, G.A. Petersson, P.Y. Ayala, Q. Cui, K. Morokuma, D.K. Malick, A.D. Rabuck, K. Raghavachari, J.B. Foresman, J. Cioslowski, J.V. Ortiz, B.B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. Gomperts, R.L. Martin, D.J. Fox, T. Keith, M.A. Al-Laham, C.Y. Peng, A. Nanayakkara, C. Gonzalez, M. Challacombe, P.M.W. Gill, B.G. Johnson, W. Chen, M.W. Wong, J.L. Andres, M. Head-Gordon, E.S. Replogle, and J.A. Pople Gaussian 98 (Revision A.9) 1998 Gaussian Inc. Pittsburgh, PA
38. S. Humbel, S. Sieber, and K. Morokuma J. Chem. Phys. 105 1996 1959
39. M. Scensson, S. Humbel, R.D.J. Froese, T. Matsubara, S. Sieber, and K. Morokuma J. Phys. Chem. 100 1996 19357
40. T.H. Dunning Jr., and P.J. Hay H.F. Schaefer III Modern Theoretical Chemistry vol. 3 1976 Plenum New York p. 1
41. P.J. Hay, and W.R. Wadt J. Phys. Chem. 82 1985 299
42. R.C. Weast Handbook of Chemistry and Physics 62nd ed. 1981 CRC Press Inc. Boca Raton, FL