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Surface Science

Volumn 478, Issue 1-2, 2001, Pages 25-34

Cluster and periodic ab initio calculations on the adsorption of CO2 on the SnO2(1 1 0) surface

(3) Melle Franco, Manuel a Pacchioni, Gianfranco a Chadwick, Alan V b

a Istituto Nazionale per la Fisica della Materia Milan (Italy)

b UNIVERSITY OF KENT (United Kingdom)

Author keywords

Ab initio quantum chemical methods and calculations; Carbon dioxide; Chemisorption; Density functional calculations; Tin oxides

Indexed keywords

CHEMISORPTION; CRYSTAL ORIENTATION; ELECTROSTATICS; GAS ADSORPTION; NEGATIVE IONS; POSITIVE IONS; PROBABILITY DENSITY FUNCTION; TIN COMPOUNDS;

GRADIENT CORRECTED DENSITY FUNCTIONAL THEORY;

CARBON DIOXIDE;

EID: 0035341538 PISSN: 00396028 EISSN: None Source Type: Journal
DOI: 10.1016/S0039-6028(01)00948-7 Document Type: Article

Times cited : (26)

References (39)

1
- 0003600525
- Cambridge University Press, Cambridge
- (1994) The Surface Science of Metal Oxides
- Henrich, V.E.¹ Cox, P.A.²

2
- 0032045436
- (1998) Appl. Surf. Sci. , vol.126 , pp. 57
- Michel, H.J.¹ Leiste, H.² Schierbaum, K.D.³ Halbritter, J.⁴

3
- 0030736749
- (1997) Phys. Rev. Lett. , vol.78 , pp. 495
- Charlton, G.¹ Howes, P.B.² Steadman, P.³ Taylor, J.S.G.⁴ Muryn, C.A.⁵ Harte, S.P.⁶ Mercer, J.⁷ McGrath, R.⁸ Norman, D.⁹ Turner, T.S.¹⁰ Thornton, G.¹¹

4
- 33748717620
- (1998) J. Chem. Soc. Faraday Trans. , vol.94 , pp. 3493
- Williams, D.E.¹ Pratt, K.F.E.²

5
- 0032045436
- (1998) Appl. Surf. Sci. , vol.126 , pp. 57
- Michel, H.J.¹ Leiste, H.² Schierbaum, K.D.³ Halbritter, J.⁴

6
- 0002232498
- (1999) J. Sol. State Chem. , vol.143 , pp. 86
- Pagnier, T.¹ Boulova, M.² Galerie, A.³ Gaskov, A.⁴ Lucazeau, G.⁵

7
- 3042885536
- (1996) Phys. Rev. B , vol.53 , pp. 957
- Goniakovski, J.¹ Holender, J.M.² Kantorovich, L.N.³ Gillan, M.J.⁴ White, J.A.⁵

8
- 0030129363
- (1996) Surf. Sci. , vol.350 , pp. 145
- Goniakowski, J.¹ Gillan, M.J.²

9
- 0029393427
- (1995) Surf. Sci. , vol.339 , pp. 258
- Manassidis, I.¹ Goniakovski, J.² Kantorovich, L.N.³ Gillan, M.J.⁴

10
- 0000717277
- (1999) Int. J. Quant. Chem. , vol.74 , pp. 423
- Yamaguchi, Y.¹ Nagasawa, Y.² Shimomura, S.³ Tabata, K.⁴

11
- 0032784368
- (1999) Surf. Sci. , vol.420 , pp. 103
- Rantala, T.T.¹ Rantala, T.S.² Lantto, V.³

12
- 0032628949
- (1999) Surf. Sci. , vol.430 , pp. 213
- Calatayud, M.¹ Andrés, J.² Beltran, A.³

13
- 0033518326
- (1999) J. Phys. Chem. B , vol.103 , pp. 10644
- Slater, B.¹ Catlow, C.R.A.² Gay, D.-H.³ Williams, D.E.⁴ Dusastre, V.⁵

14
- 0001037339
- (2000) Chem. Phys. Lett. , vol.316 , pp. 477
- Yamaguchi, Y.¹ Nagasawa, Y.² Shimomura, S.³ Tabata, K.⁴ Suzuki, E.⁵

15
- 0034698318
- (2000) Chem. Commun. , pp. 1235
- Slater, B.¹ Catlow, C.R.A.² Williams, D.E.³ Stoneham, A.M.⁴

16
- 0002187366
- (2000) Surf. Sci. , vol.461 , pp. 54
- Melle-Franco, M.¹ Pacchioni, G.²

17
- 0003631340
- NATO ASI Series B, Plenum Press, New York
- (1992) Cluster Models for Surface and Bulk Phenomena , vol.283
- Pacchioni, G.¹ Bagus, P.S.² Parmigiani, F.³

18
- 0027251244
- (1993) Surf. Sci. , vol.281 , pp. 207
- Pacchioni, G.¹

19
- 0000928339
- (1994) J. Am. Chem. Soc. , vol.116 , pp. 10152
- Pacchioni, G.¹ Ricart, J.M.² Illas, F.³

20
- 0000189651
- (1993) J. Chem. Phys. , vol.98 , pp. 5648
- Becke, A.D.¹

21
- 4243553426
- (1988) Phys. Rev. A , vol.38 , pp. 3098
- Becke, A.D.¹

22
- 0345491105
- (1988) Phys. Rev. B , vol.37 , pp. 785
- Lee, C.¹ Yang, W.² Parr, R.G.³

23
- 0001054907
- (1997) Acta Cryst. B , vol.53 , pp. 373
- Bolzan, A.A.¹ Fong, C.² Kennedy, B.J.³ Howard, C.J.⁴

24
- 0006633404
- (1994) J. Chem. Phys. , vol.100 , pp. 2010
- Nygren, M.A.¹ Pettersson, L.G.M.² Barandiaran, Z.³ Seijo, L.⁴

25
- 0006073669
- (1985) J. Chem. Phys. , vol.82 , pp. 284
- Wadt, W.R.¹ Hay, P.J.²

26
- 0003729985
- IBM Co., Kingston
- (1994) HONDO 8.5 for CHEMStation
- Dupuis, M.¹ Johnston, F.² Marquez, A.³

27

28
- 0003400758
- Springer, Heidelberg
- (1988) Hartree-Fock Ab-initio Treatment of Crystalline Systems, Lecture Notes in Chemistry , vol.48
- Pisani, C.¹ Dovesi, R.² Roetti, C.³

29
- 0003867643
- Università di Torino, Torino
- (1996) CRYSTAL95 User's Manual
- Dovesi, R.¹ Saunders, V.R.² Roetti, C.³ Causà, M.⁴ Harrison, N.M.⁵ Orlando, R.⁶ Aprà, E.⁷

30
- 0003718311
- Elsevier, Amsterdam
- (1984) Gaussian Basis Sets for Molecular Calculations
- Huzinaga, S.¹

31
- 84890021933
- (1970) Mol. Phys. , vol.19 , pp. 553
- Boys, S.¹ Bernardi, F.²

32
- 36849115659
- (1971) J. Chem. Phys. , vol.54 , pp. 724
- Ditchfield, R.¹ Hehre, W.J.² Pople, J.A.³

33
- 0004002513
- (1971) IBM Res. Rep. RJ , pp. 945
- Van Duijneveldt, F.J.¹

34
- 36549103649
- (1984) J. Chem. Phys. , vol.80 , pp. 4378
- Bagus, P.S.¹ Hermann, K.² Bauschlicher, C.W.³

35
- 0005240580
- (1992) J. Chem. Phys. , vol.96 , pp. 8692
- Bagus, P.S.¹ Illas, F.²

36
- 0345580779
- (1999) Surf. Sci. , vol.430 , pp. 137
- Bredow, T.¹ Marquez, A.M.² Pacchioni, G.³

37
- 0042422861
- (1999) Surf. Sci. , vol.442 , pp. 463
- Marquez, A.M.¹ Lopez, N.² Garcia-Hernandez, M.³ Illas, F.⁴

38
- 0003588966
- Van Nostrand, Princeton
- (1950) Molecular Spectra and Molecular Structure , vol.1
- Herzberg, G.¹

39
- 0000058881
- (1984) J. Chem. Soc. Faraday Trans. , vol.1 , Issue.80 , pp. 1357
- Harrison, P.G.¹ Maunders, B.M.²

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.