Theoretical study of the decomposition of HCOOH on an MgO(100) surface

Surface Science

Volumn 429, Issue 1, 1999, Pages 133-142

  Lintuluoto, Masami ^a   Nakatsuji, Hiroshi ^b,c   Hada, Masahiko ^b   Kanai, Hiroyoshi ^a  

^a KYOTO PREFECTURAL UNIVERSITY   (Japan)

^b KYOTO UNIVERSITY   (Japan)

^c INSTITUTE FOR FUNDAMENTAL CHEMISTRY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMS; CARBON; CHEMICAL BONDS; CRYSTAL DEFECTS; DECOMPOSITION; ELECTRON ENERGY LEVELS; MAGNESIA; MOLECULAR STRUCTURE; OXYGEN; REACTION KINETICS; SURFACES;

AB INITIO MOLECULAR ORBITAL METHOD; FORMIC ACID;

ORGANIC ACIDS;

EID: 0032630382     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0039-6028(99)00357-X     Document Type: Article

References (58)

1. Vohs J.M., Barteau M.A. Surf. Sci. 176:1986;91.
2. Lüth H., Rubloff G.W., Grobman W.D. Solid State Commun. 18:1976;1427.
3. Noto Y., Fukuda K., Onish T., Tamaru K. Trans. Faraday Soc. 63:1967;3081.
4. Au C.T., Hirsch W., Hirschwald W. Surf. Sci. 199:1988;507.
5. Petrie W.T., Vohs J.M. Surf. Sci. 245:1991;315.
6. Akhter S., Cheng W.H., Lui K., Kung H.H. J. Catal. 85:1984;437.
7. Foyt D.C., White J.M. J. Catal. 47:1977;260.
8. Liang S.H.C., Gay I.D. J. Catal. 101:1986;193.
9. Takezawa N., Hanamaki C., Kobayashi H. J. Catal. 38:1975;101.
10. Kagel R.O., Greenler R.G. J. Chem. Phys. 49:1968;1638.
11. Yamamoto H., Akamatsu N., Wada A., Domen K., Hirose C. J. Electron Spectrosc. Relat. Phenom. 64/65:1993;507.
12. Domen K., Akamatsu N., Yamamoto H., Wada A., Hirose C. Surf. Sci. 283:1993;468.
13. Shido T., Asakura K., Iwasawa Y. J. Catal. 122:1990;55.
14. Meschter P.J., Grabke H. J. Metall. Trans. 10B:1979;323.
15. Sato S., White J.M. J. Am. Chem. Soc. 102:1980;7209.
16. Ueno A., Onishi T., Tamaru K. Trans. Faraday Soc. 67:1971;3585.
17. Tanaka S., Onchi M., Nishijima M. J. Chem. Phys. 92:1989;2712.
18. Ohnish H., Egawa C., Aruga T., Iwasawa Y. Surf. Sci. 191:1987;479.
19. Parrott S.L., Rogers J.W., White J.M. Appl. Surf. Sci. 1:1978;443.
20. Bowker M., Houghton H., Waugh K.C. J. Chem. Soc., Faraday Trans. 77:1981;3023.
21. Sun Y.K., Weiberg W.H. J. Chem. Phys. 94:1991;4587.
22. Solymosi F., Kiss J., Kovacs I. Surf. Sci. 192:1987;47.
23. Falconer J.L., Madix R.J. Surf. Sci. 46:1974;473.
24. Stevens P.A., Madix R.J., Stohr J. Surf. Sci. 230:1990;1.
25. Tanabe K., Misono M., Ono Y., Hattori H. New Solid Acids and Bases: Their Catalytic Properties. 1989;Elsevier, Amsterdam.
26. Peng X.D., Barteau M.A. Catal. Lett. 7:1990;395.
27. Yamashita K., Yamabe T. Int. Quantum Chem. Symp. 17:1983;117.
28. Saito K., Kakumoto T., Kuroda H., Torii S., Imamura A. J. Chem. Phys. 80:1984;4989.
29. Sawabe K., Koga N., Morokuma K. J. Chem. Phys. 97:1992;6871.
30. Anchell J.L., Morokuma K., Hess A.C. J. Chem. Phys. 99:1993;6004.
31. Kobayashi H., Yamaguchi M., Ito T. J. Phys. Chem. 94:1990;7206.
32. Colbourn E.A., Mackrodt W.C. Surf. Sci. 117:1992;571.
33. Nakatsuji H., Fukunishi Y. Int. J. Quantum Chem. 42:1992;1101.
34. Anderson A.B., Nichols J.M. J. Am. Chem. Soc. 108:1986;4742.
35. Nakatsuji H., Hada M., Nagata K., Ogawa H., Domen K. J. Phys. Chem. 98:1994;11840.
36. Nakatsuji H., Hada M. J. Am. Chem. Soc. 107:1985;8264.
37. Nakatsuji H., Hada M., Yonezawa T. J. Am. Chem. Soc. 109:1987;1902.
38. Nakatsuji H., Matsuzaki Y., Yonezawa T. J. Chem. Phys. 88:1988;5759.
39. Sauer J., Kolmel C.M., Hiller J.R., Ahlrichs R. Chem. Phys. Lett. 164:1989;193.
40. Sauer J. J. Phys. Chem. 91:1987;2315.
41. Pápai I., Ushio J., Salahub D.R. Surf. Sci. 282:1993;262.
42. Nakatsuji H., Yoshimoto M., Hada M., Domen K., Hirose C. Surf. Sci. 336:1995;232.
43. Nakatsuji H., Yoshimoto M., Umemura Y., Takagi S., Hada M. J. Phys. Chem. 100:1996;694.
44. Yoshimoto M., Takagi S., Umemura Y., Hada M., Nakatsuji H. J. Catal. 173:1998;53.
45. Coluccia S., Barton A., Trench A.J. J. Chem. Soc., Faraday Trans. I. 77:1981;2203.
46. Karolewski M.A., Cavell R.G. Surf. Sci. 290:1993;80.
47. Langel W., Parrinello M. Phys. Rev. Lett. 73:1994;504.
48. Peng D., Barteau M.A. Langmuir. 7:1991;1426.
49. Wu M.-C., Goodman D.W. Catal. Lett. 15:1992;1.
50. Dunski H., Józwiak W.K., Sugier H. J. Catal. 146:1994;166.
51. Weisel M.D., Chen J.G., Hoffman F.M., Sun Y.K., Weinberg W.H. J. Chem. Phys. 97:1992;9396.
52. Hay P.J., Wadt W.R. J. Chem. Phys. 82:1985;270.
53. Huzinaga S. J. Chem. Phys. 42:1965;1293.
54. Dunning T.H. Jr. J. Chem. Phys. 53:1970;2823.
55. Dupuis M., Farazdel A. MOTEC-91. 1991;Center for Scientific and Engineering Computations, IBM Corporation.
56. Tsukada M., Adachi H., Satoko C. Prog. Surf. Sci. 14:1983;113.
57. Yamamoto H., Watanabe N., Wada A., Domen K., Hirose C. J. Chem. Phys. 106:1997;4734.
58. Xu C., Koel B.E. J. Chem. Phys. 102:1995;8158.