SCOPUS 정보 검색 플랫폼

Surface Science

Volumn 497, Issue 1-3, 2002, Pages 194-204

Periodic ab initio study of the hydrogenated rutile TiO2(1 1 0) surface

(5) Leconte, J a Markovits, A a Skalli, M K a,b Minot, C a Belmajdoub, A c

a LABORATOIRE DE CHIMIE THÉORIQUE (France)

b SIDI MOHAMED BEN ABDELLAH UNIVERSITY (Morocco)

c SIDI MOHAMED BEN ABDELLAH UNIVERSITY (Morocco)

Author keywords

Chemisorption; Density functional calculations; Hydrogen atom; Titanium oxide

Indexed keywords

ACIDITY; ADSORPTION; CHARGE TRANSFER; DISSOCIATION; HYDROGENATION; NEGATIVE IONS; POLARIZATION; POSITIVE IONS; PROTONS; REDUCTION; RELAXATION PROCESSES; TITANIUM DIOXIDE;

HYDROGENATED RUTILE SURFACES;

SURFACE REACTIONS;

EID: 0037137862 PISSN: 00396028 EISSN: None Source Type: Journal
DOI: 10.1016/S0039-6028(01)01477-7 Document Type: Article

Times cited : (102)

References (59)

1
- 33845377864
- (1986) J. Phys. Chem. , vol.89 , pp. 5240
- Raupp, G.B.¹ Dumesic, J.A.²

2
- 0000086063
- (1946) Trans. Faraday Soc. , vol.42 , pp. 689
- Schwab, G.M.¹

3
- 25744457889
- (1994) Phys. Rev. B , vol.50 , pp. 12015
- Reinhardt, P.¹ Heß, B.A.²

4
- 35949006225
- (1994) Phys. Rev. B , vol.49 , pp. 16721
- Ramamoorthy, M.¹ Vanderbilt, D.² King-Smith, R.D.³

5
- 0007867325
- M.A. Chaer Nascimento (Ed.), Kluwer, Dordrecht, in press
- Theoretical Aspects of Heterogeneous Catalysis
- Minot, C.¹

6
- 0028387229
- (1994) Surf. Sci. , vol.304 , pp. 343
- Fahmi, A.¹ Minot, C.²

7
- 4243947184
- (1995) Surf. Sci. , vol.327 , pp. 394
- Bredow, T.¹ Jug, K.²

8
- 0000689213
- (1980) Surf. Sci. , vol.91
- Knotek, L.L.¹

9
- 0007863284
- Progress in theoretical chemistry and physics
- Kluwer, Dordrecht
- (2001) New trends in Quantum systems in Chemistry and Physics , vol.2 , pp. 1247
- Pisani, C.¹ D'Ercole, A.²

10
- 33751058024
- (1996) J. Phys. Chem. , vol.100 , pp. 9054
- Nyberg, M.¹ Nygren, M.A.² Pettersson, L.A.³ Gay, D.H.⁴ Rohl, A.L.⁵

11
- 0027594280
- (1993) Surf. Sci. , vol.287 , pp. 228
- Ghiotti, G.¹ Chiorino, A.² Bocuzzi, F.³

12
- 0007817380
- (1992) New J. Chem. , vol.16 , pp. 1139
- Podloucky, R.¹ Steinemann, S.G.² Freeman, A.J.³

13
- 0033363171
- (1999) Phys. Stat. Sol. (a) , vol.173 , pp. 195
- Hermann, K.¹ Chakrabarti, A.² Druzinic, R.³ Witko, M.⁴

14
- 0032355880
- (1998) Polish. J. Chem. , vol.72 , pp. 1565
- Witko, M.¹ Tokartz, R.² Hermann, K.³

15
- 0000375459
- (1999) Catal. Today , vol.50 , pp. 553
- Witko, M.¹ Hermann, K.² Tokartz, R.³

16
- 0000949027
- (1998) Int. J. Quant. Chem. , vol.70 , pp. 351
- San Miguel, M.A.¹ Calzado, C.J.² Sanz, J.F.³

17
- 0007868452
- (1988) Surf. Sci. , vol.199 , pp. 597
- Onishi, H.¹ Aruga, T.² Ewawa, C.³ Iwasawa, Y.⁴

18
- 0031078799
- (1997) Surf. Sci. , vol.371 , pp. 321
- Nerlov, J.¹ Christensen, S.V.² Wichel, S.³ Pedersen, E.H.⁴ Møller, P.J.⁵

19
- 0001362133
- (1999) Chem. Phys. Lett. , vol.303 , pp. 111
- Sanz, J.F.¹ Zicovich-Wilson, C.M.²

20
- 0032091698
- (1998) Surf. Sci. , vol.409 , pp. 92
- Sanz, M.A.¹ Calzado, C.J.² Sanz, J.F.³

21
- 24544457818
- Etude théorique des oxydes de titane
- UPMC-Paris VI
- (2000)
- Albaret, T.¹

22
- 0007819658
- submitted for publication
- Albaret, T.¹ Finocchi, F.² Noguera, C.³ De Vita, A.⁴

23
- 0032206481
- (1998) Surf. Sci. , vol.418 , pp. 150
- Bredow, T.¹ Aprà, E.² Catti, M.³ Pacchioni, G.⁴

24
- 0002052019
- (1999) J. Phys. Chem. B , pp. 480
- Calzado, C.J.¹ San Miguel, M.A.² Sanz, J.F.³

25
- 33750524583
- (1983) Phys. Rev. B , vol.28 , pp. 3427
- Göpel, W.¹ Rocker, G.² Feierabend, R.³

26
- 0000292163
- (1981) Phys. Rev. B , vol.23 , pp. 6280
- Heinrich, V.E.¹ Kurtz, R.L.²

27
- 0028767569
- (1994) J. Phys. Chem. , vol.98 , pp. 6804
- Zheng, Z.¹ Kladi, A.² Verykios, X.³

28
- 0001850645
- (1997) Catal. Lett. , vol.46 , pp. 83
- Ahdjoudj, J.¹ Minot, C.²

29
- 0029491348
- (1995) Surf. Sci. , vol.343 , pp. 261
- Fahmi, A.¹ Minot, C.² Fourré, P.³ Nortier, P.⁴

30
- 0029357124
- (1995) Surf. Sci. , vol.336 , pp. 232
- Nakatsuji, H.¹ Yoshimoto, M.² Hada, M.³ Domen, K.⁴ Hirose, C.⁵

31
- 0007869097
- (1996) J. Chem. Phys. , vol.100 , pp. 694
- Nakatsuji, H.¹ Yoshimoto, M.² Umemura, Y.³ Tagaki, S.⁴ Hada, M.⁵

32
- 0007770674
- (1993) J. Chem. Phys. , vol.97 , pp. 12919
- Dilara, P.A.¹ Vohs, J.M.²

33
- 0001850645
- (1997) Catal. Lett. , vol.46 , pp. 83
- Ahdjoudj, J.¹ Minot, C.²

34
- 0003599949
- University of Torino, Torino
- (1998) CRYSTAL 98 User's Manual
- Saunders, V.R.¹ Dovesi, R.² Roetti, C.³ Causà, M.⁴ Harrison, N.M.⁵ Orlando, R.⁶ Zicovich-Wilson, C.M.⁷

35
- 12844286241
- (1993) Phys. Rev. B , vol.47 , pp. 558
- Kresse, G.¹ Hafner, J.²

36
- 35949007146
- (1993) Phys. Rev. B , vol.48 , pp. 13115
- Kresse, G.¹ Hafner, J.²

37
- 27744460065
- (1994) Phys. Rev. B , vol.49 , pp. 14251
- Kresse, G.¹ Hafner, J.²

38
- 33645898818
- (1992) Phys. Rev. B , vol.45 , pp. 13244
- Perdew, J.P.¹ Wang, Y.²

39
- 23244460838
- (1992) Phys. Rev. B , vol.46 , pp. 6671
- Perdew, J.P.¹ Chevary, J.A.² Vosko, S.H.³ Jackson, K.A.⁴ Pederson, M.R.⁵ Singh, D.J.⁶ Fiolhais, C.⁷

40
- 20544463457
- (1990) Phys. Rev. B , vol.41 , pp. 7892
- Vanderbilt, D.¹

41
- 0028763270
- (1994) J. Phys. Condens. Matter , vol.6 , pp. 8245
- Kresse, G.¹ Hafner, J.²

42
- 0000189651
- (1993) J. Chem. Phys. , vol.98 , pp. 5648
- Becke, A.D.¹

43
- 0000216001
- (1980) Can. J. Phys. , vol.58 , pp. 1200
- Vosko, S.H.¹ Wilk, L.² Nusair, M.³

45
- 0007867331
- submitted for publication
- J. Chem. Phys.
- Markovits, A.¹ Skalli, M.K.² Minot, C.³ Pacchioni, G.⁴ López, N.⁵ Illas, F.⁶

46
- 0007991593
- (1988) Mol. Phys. , vol.65 , pp. 295
- Bouteiller, Y.¹ Mijoule, C.² Nizam, M.³ Barthelat, J.C.⁴ Daudey, J.P.⁵ Pélissier, M.⁶ Silvi, B.⁷

47
- 0001162615
- (1991) J. Phys. Chem. Solids , vol.52 , pp. 1005
- Silvi, B.¹ Fourati, N.² Nada, R.³ Catlow, C.R.A.⁴

48
- 33744629963
- (1993) Phys. Rev. B , vol.47 , pp. 11717
- Fahmi, A.¹ Minot, C.² Silvi, B.³ Causà, M.⁴

49
- 0002367513
- (1994) J. Organometall. Chem. , vol.478 , pp. 67
- Minot, C.¹ Fahmi, A.²

50
- 0000724872
- (1996) J. Mol. Struc. Theoch. , vol.371 , pp. 219
- Markovits, A.¹ Fahmi, A.² Minot, C.³

51
- 0030269637
- (1996) Surf. Sci. , vol.365 , pp. 649
- Markovits, A.¹ Ahdjoudj, J.² Minot, C.³

52
- 0029491348
- (1995) Surf. Sci. , vol.343 , pp. 261
- Fahmi, A.¹ Minot, C.² Fourré, P.³ Nortier, P.⁴

53
- 0029346304
- (1995) Surf. Sci. , vol.331-333 , pp. 1460
- Heise, R.¹ Courths, R.²

54
- 0000243990
- (1997) Phys. Rev. B , vol.55 , pp. 1844
- Grant, A.W.¹ Campbell, C.T.²

55
- 0031078799
- (1997) Surf. Sci. , vol.371 , pp. 321
- Nerlov, J.¹ Christensen, S.V.² Wichel, S.³ Pedersen, E.H.⁴ Møller, P.J.⁵

56
- 37049071655
- (1989) J. Chem. Soc. Faraday Trans. , vol.85 , pp. 2597
- Onishi, H.¹ Aruga, T.² Ewaga, C.³ Iwasawa, Y.⁴

57
- 0031998768
- (1998) J. Phys. Chem. B , vol.102 , pp. 1430
- Lopez, N.¹ Illas, F.²

58
- 0000567185
- (1999) J. Chem. Phys. , vol.110 , pp. 4873
- Lopez, N.¹ Illas, F.² Rösch, N.³ Pacchioni, G.⁴

59
- 0035134711
- (2001) Phys. Rev. B , vol.63 , pp. 54102
- Pacchioni, G.¹ Frigoli, F.² Ricci, D.³

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.