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Volumn 50, Issue 3-4, 1999, Pages 613-620

Ab initio cluster model comparative study of atomic oxygen and sulfur chemisorption on Pt(1 1 1) surface: Relevance to heterogeneous catalysis

(3) Illas, F a Clotet, A b Ricart, J M b

a UNIVERSITY OF BARCELONA (Spain)

b UNIVERSITAT ROVIRA I VIRGILI (Spain)

Author keywords

Chemisorption; Constrained space orbital variation; Platinum

Indexed keywords

EID: 0001571460 PISSN: 09205861 EISSN: None Source Type: Journal
DOI: 10.1016/S0920-5861(98)00495-7 Document Type: Article

Times cited : (7)

References (48)

1
- 0003395742
- Wiley-Interscience, New York
- G.A. Somorjai, Introduction to Surface Chemistry and Catalysis, Wiley-Interscience, New York, 1994.
- (1994) Introduction to Surface Chemistry and Catalysis
- Somorjai, G.A.¹

2
- 0025089857
- C.G. Vayenas, S. Bebelis, S. Ladas, Nature 343 (1990) 625.
- (1990) Nature , vol.343 , pp. 625
- Vayenas, C.G.¹ Bebelis, S.² Ladas, S.³

3
- 0001578110
- G. Pacchioni, F. Illas, S. Neophytides, C.G. Vayenas, J. Phys. Chem. 100 (1996) 16653.
- (1996) J. Phys. Chem. , vol.100 , pp. 16653
- Pacchioni, G.¹ Illas, F.² Neophytides, S.³ Vayenas, C.G.⁴

4
- 0004201965
- Marcel Dekker, New York
- J.G. Speightm, The Chemistry and Technology of Petroleum, 2nd ed., Marcel Dekker, New York, 1991.
- (1991) The Chemistry and Technology of Petroleum, 2nd Ed.
- Speightm, J.G.¹

5
- 0002289296
- D.A. King, D.P. Woodruff (Eds.), Chapter 3, Elsevier, Amsterdam
- T. Engel, F. Ertl, in: D.A. King, D.P. Woodruff (Eds.), The Chemical Physics of Solid Surfaces and Heterogeneous Catalysis, vol. 4, Chapter 3, Elsevier, Amsterdam, 1982.
- (1982) The Chemical Physics of Solid Surfaces and Heterogeneous Catalysis , vol.4
- Engel, T.¹ Ertl, F.²

6
- 0002625717
- D.A. King, D.P. Woodruff (Eds.), Chapter 2, Elsevier, Amsterdam
- P.R. Norton, in: D.A. King, D.P. Woodruff (Eds.), The Chemical Physics of Solid Surfaces and Heterogeneous Catalysis, vol. 4, Chapter 2, Elsevier, Amsterdam, 1982.
- (1982) The Chemical Physics of Solid Surfaces and Heterogeneous Catalysis , vol.4
- Norton, P.R.¹

7
- 0020338933
- C.H. Bartholomew, P.K. Agrawal, J.R. Katzer, Adv. Catal. 31 (1982) 135.
- (1982) Adv. Catal. , vol.31 , pp. 135
- Bartholomew, C.H.¹ Agrawal, P.K.² Katzer, J.R.³

8
- 27444438524
- J. Barbier, E. Lamy-Pitara, P Marecot, J.P Boitiux, J. Cosyns, F. Verna, Adv. Catal. 37 (1990) 279.
- (1990) Adv. Catal. , vol.37 , pp. 279
- Barbier, J.¹ Lamy-Pitara, E.² Marecot, P.³ Boitiux, J.P.⁴ Cosyns, J.⁵ Verna, F.⁶

9
- 0000777963
- S. Zuirta, J. Rubio, F. Illas, J.C. Barthelat, J. Chem. Phys. 104 (1996) 8500.
- (1996) J. Chem. Phys. , vol.104 , pp. 8500
- Zuirta, S.¹ Rubio, J.² Illas, F.³ Barthelat, J.C.⁴

10
- 0000875081
- J. Rubio, S. Zurita, J.C. Barthelat, F. Illas, Chem. Phys. Lett. 217 (1994) 283.
- (1994) Chem. Phys. Lett. , vol.217 , pp. 283
- Rubio, J.¹ Zurita, S.² Barthelat, J.C.³ Illas, F.⁴

11
- 0030194159
- S. Zuirta, J. Rubio, F. Illas, Electrochim. Acta 41 (1996) 2275.
- (1996) Electrochim. Acta , vol.41 , pp. 2275
- Zuirta, S.¹ Rubio, J.² Illas, F.³

12
- 0001124074
- F. Illas, S. Zurita, J. Rubio, A.M. Márquez, Phys. Rev. B 52 (1995) 12372.
- (1995) Phys. Rev. B , vol.52 , pp. 12372
- Illas, F.¹ Zurita, S.² Rubio, J.³ Márquez, A.M.⁴

13
- 0000839362
- F. Illas, J. Rubio, J.M. Ricart, G. Pacchioni, J. Chem. Phys. 105 (1996) 7192.
- (1996) J. Chem. Phys. , vol.105 , pp. 7192
- Illas, F.¹ Rubio, J.² Ricart, J.M.³ Pacchioni, G.⁴

14
- 0031338721
- F. Illas, J.M. Ricart, A. Clotet, J. Phys. Chem. A 101 (1997) 9732.
- (1997) J. Phys. Chem. A , vol.101 , pp. 9732
- Illas, F.¹ Ricart, J.M.² Clotet, A.³

15
- 26744446589
- J. Billy, M. Abon, Surf. Sci. 146 (1984) L525.
- (1984) Surf. Sci. , vol.146
- Billy, J.¹ Abon, M.²

16
- 0009770406
- J.Q. Broughton, P.S. Bagus, Phys. Rev. B 30 (1984) 4761.
- (1984) Phys. Rev. B , vol.30 , pp. 4761
- Broughton, J.Q.¹ Bagus, P.S.²

17
- 0346708218
- A.D. Mac Lean, G.S. Chandler, IBM Internal Report RJ2665, 1979.
- (1979) IBM Internal Report RJ2665
- Mac Lean, A.D.¹ Chandler, G.S.²

18
- 0000214487
- B. Huron, P. Rancurel, J.P. Malrieu, J. Chem. Phys. 58 (1973) 5745.
- (1973) J. Chem. Phys. , vol.58 , pp. 5745
- Huron, B.¹ Rancurel, P.² Malrieu, J.P.³

19
- 0011398544
- S. Evangelisti, J.P. Daudey, J.P. Malrieu, Chem. Phys. Lett. 75 (1983) 91.
- (1983) Chem. Phys. Lett. , vol.75 , pp. 91
- Evangelisti, S.¹ Daudey, J.P.² Malrieu, J.P.³

20
- 0011504669
- F. Illas, J. Rubio, J.M. Ricart, P.S. Bagus, J. Chem. Phys. 95 (1991) 1877.
- (1991) J. Chem. Phys. , vol.95 , pp. 1877
- Illas, F.¹ Rubio, J.² Ricart, J.M.³ Bagus, P.S.⁴

21
- 0001721474
- A. Povill, J. Rubio, F. Illas, Theoret. Chim. Acta 82 (1992) 229.
- (1992) Theoret. Chim. Acta , vol.82 , pp. 229
- Povill, A.¹ Rubio, J.² Illas, F.³

22
- 0000731073
- R.J. Harrison, J. Chem. Phys. Lett. 94 (1991) 5021.
- (1991) J. Chem. Phys. Lett. , vol.94 , pp. 5021
- Harrison, R.J.¹

23
- 0009765833
- A. Clotet, J.M. Ricart, J. Rubio, F. Illas, E. San Fabiá, F. Moscardó, Phys. Rev. B 52 (1995) 11998.
- (1995) Phys. Rev. B , vol.52 , pp. 11998
- Clotet, A.¹ Ricart, J.M.² Rubio, J.³ Illas, F.⁴ San Fabiá, E.⁵ Moscardó, F.⁶

24
- 0003569570
- Oxford University Press, New York
- R.G. Parr, W. Yang, Density Functional Theory of Atoms and Molecules, Oxford University Press, New York, 1989.
- (1989) Density Functional Theory of Atoms and Molecules
- Parr, R.G.¹ Yang, W.²

25
- 0000759292
- H. Stöll, C.M.E. Pavlidou, H. Preuss, Theoret. Chim. Acta 49 (1978) 143.
- (1978) Theoret. Chim. Acta , vol.49 , pp. 143
- Stöll, H.¹ Pavlidou, C.M.E.² Preuss, H.³

26
- 0001278199
- J.M. Pérez-Jordá, E. San-Fabián, F. Moscardó, Phys. Rev. A 45 (1992) 4407.
- (1992) Phys. Rev. A , vol.45 , pp. 4407
- Pérez-Jordá, J.M.¹ San-Fabián, E.² Moscardó, F.³

27
- 0042113153
- W. Kohn, W. Sham, Phys. Rev. A 140 (1965) 1133.
- (1965) Phys. Rev. A , vol.140 , pp. 1133
- Kohn, W.¹ Sham, W.²

28
- 0001648612
- J.B. Lagowski, S.H. Vosko, J. Phys. B 21 (1988) 203.
- (1988) J. Phys. B , vol.21 , pp. 203
- Lagowski, J.B.¹ Vosko, S.H.²

29
- 0000216001
- S.H. Vosko, L. Wilk, M. Nusair, Can. J. Phys. 58 (1980) 1200.
- (1980) Can. J. Phys. , vol.58 , pp. 1200
- Vosko, S.H.¹ Wilk, L.² Nusair, M.³

30
- 26144450583
- J.P. Perdew, A. Zunger, Phys. Rev. B 23 (1981) 5048.
- (1981) Phys. Rev. B , vol.23 , pp. 5048
- Perdew, J.P.¹ Zunger, A.²

31
- 36549091903
- A.D. Becke, J. Chem. Phys. 88 (1988) 1053.
- (1988) J. Chem. Phys. , vol.88 , pp. 1053
- Becke, A.D.¹

32
- 5944261746
- J.P. Perdew, Phys. Rev. B 33 (1986) 8822.
- (1986) Phys. Rev. B , vol.33 , pp. 8822
- Perdew, J.P.¹

33
- 0002522713
- R. Colle, O. Salvetti, Theoret. Chim. Acta 53 (1979) 55.
- (1979) Theoret. Chim. Acta , vol.53 , pp. 55
- Colle, R.¹ Salvetti, O.²

34
- 84987138236
- F. Moscardó, E. San-Fabián, Int. J. Quant. Chem. 40 (1991) 23.
- (1991) Int. J. Quant. Chem. , vol.40 , pp. 23
- Moscardó, F.¹ San-Fabián, E.²

35
- 35348899992
- G.C. Lie, E. Clementi, J. Chem. Phys. 60 (1974) 1275.
- (1974) J. Chem. Phys. , vol.60 , pp. 1275
- Lie, G.C.¹ Clementi, E.²

36
- 0001719725
- G.C. Lie, E. Clementi, J. Chem. Phys. 60 (1974) 1288.
- (1974) J. Chem. Phys. , vol.60 , pp. 1288
- Lie, G.C.¹ Clementi, E.²

37
- 0009790772
- QCPE, University of Indiana, Bloomington, IN 47401
- M. Durpuis, J. Rys, H.F. King, HONDO-76, program 338, QCPE, University of Indiana, Bloomington, IN 47401; HONDO-CIPSI package written by R. Caballol, O. Castell, J.P. Daudey, S. Evangelisti, F. Illas, J.P. Malrieu, D. Maynau, M. Pelissier, J. Rubio, F. Spiegelmann.
- HONDO-76, Program 338
- Durpuis, M.¹ Rys, J.² King, H.F.³

38
- 6544265434
- M. Durpuis, J. Rys, H.F. King, HONDO-76, program 338, QCPE, University of Indiana, Bloomington, IN 47401; HONDO-CIPSI package written by R. Caballol, O. Castell, J.P. Daudey, S. Evangelisti, F. Illas, J.P. Malrieu, D. Maynau, M. Pelissier, J. Rubio, F. Spiegelmann.
- HONDO-CIPSI Package
- Caballol, R.¹ Castell, O.² Daudey, J.P.³ Evangelisti, S.⁴ Illas, F.⁵ Malrieu, J.P.⁶ Maynau, D.⁷ Pelissier, M.⁸ Rubio, J.⁹ Spiegelmann, F.¹⁰

39
- 0000500592
- S. Lehwald, H. Ibach, H. Steininger, Surf. Sci. 117 (1982) 342.
- (1982) Surf. Sci. , vol.117 , pp. 342
- Lehwald, S.¹ Ibach, H.² Steininger, H.³

40
- 0001660056
- K. Hayek, H. Glassl, A. Gutmann, H. Leonhard, M. Prutton, S.P. Tear, M.R. Welton-Cook, Surf. Sci. 152 153 (1985) 419.
- (1985) Surf. Sci. , vol.152-153 , pp. 419
- Hayek, K.¹ Glassl, H.² Gutmann, A.³ Leonhard, H.⁴ Prutton, M.⁵ Tear, S.P.⁶ Welton-Cook, M.R.⁷

41
- 0000344323
- R.J. Koestner, M. Salmerón, E.B. Kollin, J.L. Gland, Chem. Phys. Lett. 125 (1986) 134.
- (1986) Chem. Phys. Lett. , vol.125 , pp. 134
- Koestner, R.J.¹ Salmerón, M.² Kollin, E.B.³ Gland, J.L.⁴

42
- 0001548202
- R.J. Koestner, M. Salmerón, E.B. Kollin, J.L. Gland, Surf. Sci. 172 (1986) 668.
- (1986) Surf. Sci. , vol.172 , pp. 668
- Koestner, R.J.¹ Salmerón, M.² Kollin, E.B.³ Gland, J.L.⁴

43
- 11744371485
- E. Clementi, J. Chem. Phys. 93 (1990) 2591.
- (1990) J. Chem. Phys. , vol.93 , pp. 2591
- Clementi, E.¹

44
- 84990673642
- P.M.W. Gill, B.G. Johnson, J.A. Pople, M. Frisch, Int. Quant. Chem. 26 (1992) 319.
- (1992) Int. Quant. Chem. , vol.26 , pp. 319
- Gill, P.M.W.¹ Johnson, B.G.² Pople, J.A.³ Frisch, M.⁴

45
- 0000295366
- C.J. Nelin, P.S. Bagus, M.R. Philpott, J. Chem. Phys. 87 (1987) 2170.
- (1987) J. Chem. Phys. , vol.87 , pp. 2170
- Nelin, C.J.¹ Bagus, P.S.² Philpott, M.R.³

46
- 36549103649
- P.S. Bagus, K. Hermann, C.W. Bauschlicher Jr., , J. Chem. Phys. 80 (1984) 4378.
- (1984) J. Chem. Phys. , vol.80 , pp. 4378
- Bagus, P.S.¹ Hermann, K.² Bauschlicher C.W., Jr.³

47
- 36549095723
- P.S. Bagus, K. Hermann, C.W. Bauschlicher Jr., , J. Chem. Phys. 81 (1984) 1966.
- (1984) J. Chem. Phys. , vol.81 , pp. 1966
- Bagus, P.S.¹ Hermann, K.² Bauschlicher C.W., Jr.³

48
- 36449007414
- P.S. Bagus, F. Illas, J. Chem. Phys. 96 (1992) 8962.
- (1992) J. Chem. Phys. , vol.96 , pp. 8962
- Bagus, P.S.¹ Illas, F.²

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