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Volumn 396, Issue 1-3, 1998, Pages 40-51

Ab initio HF/DFT studies of the chemisorption of hydrogen on the cluster simulated Si(111)-(√3 × √3)R30°-A1 and -Ga surfaces

(3) Wang, Sanwu a Radny, M W a Smith, P V a

a UNIVERSITY OF NEWCASTLE (Australia)

Author keywords

Ab initio quantum chemical methods and calculations; Aluminium; Chemisorption; Density functional calculations; Gallium; Hydrogen; Models of surface chemical reactions; Silicon

Indexed keywords

ALUMINUM; ATOMS; BINDING ENERGY; CHEMICAL BONDS; CHEMISORPTION; ELECTRONIC STRUCTURE; GALLIUM; HYDROGEN; PHASE TRANSITIONS; PROBABILITY DENSITY FUNCTION; QUANTUM THEORY; SEMICONDUCTING SILICON;

AB INITIO CALCULATION; SURFACE CHEMICAL REACTION; SURFACE RECONSTRUCTION;

SURFACE STRUCTURE;

EID: 0031653713 PISSN: 00396028 EISSN: None Source Type: Journal
DOI: 10.1016/S0039-6028(97)00657-2 Document Type: Article

Times cited : (9)

References (64)

1
- 0000620777
- J.J. Lander, J. Morrison, Surf. Sci. 2 (1964) 553.
- (1964) Surf. Sci. , vol.2 , pp. 553
- Lander, J.J.¹ Morrison, J.²

2
- 0025843030
- For some reviews, see R.I.G. Uhrberg, G.V. Hansson, Crit. Rev. Solid State Mat. Sci. 17 (1991) 133; J.P. LaFemina, Surf. Sci. Rep. 16, 133 (1992); S. Kono, Surf. Rev. Lett. 1 (1994) 359; H. Nagayoshi, Surf. Rev. Lett. 1 (1994) 369; J. Nogami, Surf. Rev. Lett. 1 (1994) 395; H.N. Waltenburg, J.T. Yates, Jr., Chem. Rev. 95 (1995) 1589.
- (1991) Crit. Rev. Solid State Mat. Sci. , vol.17 , pp. 133
- Uhrberg, R.I.G.¹ Hansson, G.V.²

3
- 0027038172
- For some reviews, see R.I.G. Uhrberg, G.V. Hansson, Crit. Rev. Solid State Mat. Sci. 17 (1991) 133; J.P. LaFemina, Surf. Sci. Rep. 16, 133 (1992); S. Kono, Surf. Rev. Lett. 1 (1994) 359; H. Nagayoshi, Surf. Rev. Lett. 1 (1994) 369; J. Nogami, Surf. Rev. Lett. 1 (1994) 395; H.N. Waltenburg, J.T. Yates, Jr., Chem. Rev. 95 (1995) 1589.
- (1992) Surf. Sci. Rep. , vol.16 , pp. 133
- LaFemina, J.P.¹

4
- 0001438570
- For some reviews, see R.I.G. Uhrberg, G.V. Hansson, Crit. Rev. Solid State Mat. Sci. 17 (1991) 133; J.P. LaFemina, Surf. Sci. Rep. 16, 133 (1992); S. Kono, Surf. Rev. Lett. 1 (1994) 359; H. Nagayoshi, Surf. Rev. Lett. 1 (1994) 369; J. Nogami, Surf. Rev. Lett. 1 (1994) 395; H.N. Waltenburg, J.T. Yates, Jr., Chem. Rev. 95 (1995) 1589.
- (1994) Surf. Rev. Lett. , vol.1 , pp. 359
- Kono, S.¹

5
- 0000740377
- For some reviews, see R.I.G. Uhrberg, G.V. Hansson, Crit. Rev. Solid State Mat. Sci. 17 (1991) 133; J.P. LaFemina, Surf. Sci. Rep. 16, 133 (1992); S. Kono, Surf. Rev. Lett. 1 (1994) 359; H. Nagayoshi, Surf. Rev. Lett. 1 (1994) 369; J. Nogami, Surf. Rev. Lett. 1 (1994) 395; H.N. Waltenburg, J.T. Yates, Jr., Chem. Rev. 95 (1995) 1589.
- (1994) Surf. Rev. Lett. , vol.1 , pp. 369
- Nagayoshi, H.¹

6
- 0001076347
- For some reviews, see R.I.G. Uhrberg, G.V. Hansson, Crit. Rev. Solid State Mat. Sci. 17 (1991) 133; J.P. LaFemina, Surf. Sci. Rep. 16, 133 (1992); S. Kono, Surf. Rev. Lett. 1 (1994) 359; H. Nagayoshi, Surf. Rev. Lett. 1 (1994) 369; J. Nogami, Surf. Rev. Lett. 1 (1994) 395; H.N. Waltenburg, J.T. Yates, Jr., Chem. Rev. 95 (1995) 1589.
- (1994) Surf. Rev. Lett. , vol.1 , pp. 395
- Nogami, J.¹

7
- 0345423054
- For some reviews, see R.I.G. Uhrberg, G.V. Hansson, Crit. Rev. Solid State Mat. Sci. 17 (1991) 133; J.P. LaFemina, Surf. Sci. Rep. 16, 133 (1992); S. Kono, Surf. Rev. Lett. 1 (1994) 359; H. Nagayoshi, Surf. Rev. Lett. 1 (1994) 369; J. Nogami, Surf. Rev. Lett. 1 (1994) 395; H.N. Waltenburg, J.T. Yates, Jr., Chem. Rev. 95 (1995) 1589.
- (1995) Chem. Rev. , vol.95 , pp. 1589
- Waltenburg, H.N.¹ Yates J.T., Jr.²

8
- 0000058704
- E. Landemark, C.J. Karlsson, R.I.G. Uhrberg, Phys. Rev. B 44 (1991) 1950.
- (1991) Phys. Rev. B , vol.44 , pp. 1950
- Landemark, E.¹ Karlsson, C.J.² Uhrberg, R.I.G.³

9
- 0041082292
- P.J. Chen, M.L. Colaianni, J.T. Yates, Jr., J. Appl. Phys. 70 (1991) 2954.
- (1991) J. Appl. Phys. , vol.70 , pp. 2954
- Chen, P.J.¹ Colaianni, M.L.² Yates J.T., Jr.³

10
- 0026819397
- S.-T. Li, S. Hasegawa, H. Nakashima, Jpn. J. Appl. Phys. 31 (1992) L123.
- (1992) Jpn. J. Appl. Phys. , vol.31
- Li, S.-T.¹ Hasegawa, S.² Nakashima, H.³

11
- 0039530407
- M. Naitoh, H. Ohnishi, Y. Ozaki, F. Shoji, K. Oura, Appl. Surf. Sci. 60/61 (1992) 190.
- (1992) Appl. Surf. Sci. , vol.60-61 , pp. 190
- Naitoh, M.¹ Ohnishi, H.² Ozaki, Y.³ Shoji, F.⁴ Oura, K.⁵

12
- 0027677187
- A.A. Saranin, E.A. Khramtsova, V.G. Lifshits, Surf. Sci. 296 (1993) L21.
- (1993) Surf. Sci. , vol.296
- Saranin, A.A.¹ Khramtsova, E.A.² Lifshits, V.G.³

13
- 0028333293
- A.A. Saranin, E.A. Khramtsova, V.G. Lifshits, Surf. Sci. 302 (1994) 57.
- (1994) Surf. Sci. , vol.302 , pp. 57
- Saranin, A.A.¹ Khramtsova, E.A.² Lifshits, V.G.³

14
- 0030194239
- F. Owman, P. Mårtensson, Surf. Sci. 359 (1995) 122.
- (1995) Surf. Sci. , vol.359 , pp. 122
- Owman, F.¹ Mårtensson, P.²

15
- 0026205799
- K. Oura, K. Sumitomo, T. Kobayashi, T. Kinoshita, Y. Tanaka, F. Shoji, I. Katayama, Surf. Sci. 230 (1991) L460.
- (1991) Surf. Sci. , vol.230
- Oura, K.¹ Sumitomo, K.² Kobayashi, T.³ Kinoshita, T.⁴ Tanaka, Y.⁵ Shoji, F.⁶ Katayama, I.⁷

16
- 24444451179
- to be published
- S. Wang, M.W. Radny, P.V. Smith, Phys. Rev. B. (to be published).
- Phys. Rev. B.
- Wang, S.¹ Radny, M.W.² Smith, P.V.³

17
- 0041507468
- G.V. Hansson, R.Z. Bachrach, R.S. Bauer, P. Chiaradia, Phys. Rev. Lett. 46 (1981) 1033.
- (1981) Phys. Rev. Lett. , vol.46 , pp. 1033
- Hansson, G.V.¹ Bachrach, R.Z.² Bauer, R.S.³ Chiaradia, P.⁴

18
- 0018986349
- G.V. Hansson, R.Z. Bachrach, R.S. Bauer, J. Vac. Sci. Technol. 18 (1981) 550.
- (1981) J. Vac. Sci. Technol. , vol.18 , pp. 550
- Hansson, G.V.¹ Bachrach, R.Z.² Bauer, R.S.³

19
- 0041848538
- J.E. Northrup, Phys. Rev. Lett. 53 (1984) 683.
- (1984) Phys. Rev. Lett. , vol.53 , pp. 683
- Northrup, J.E.¹

20
- 0000084058
- R.I.G. Uhrberg, G.V. Hansson, J.M. Nicholls, P.E.S. Persson, S.A. Flodström, Phys. Rev. B 31 (1985) 3805.
- (1985) Phys. Rev. B , vol.31 , pp. 3805
- Uhrberg, R.I.G.¹ Hansson, G.V.² Nicholls, J.M.³ Persson, P.E.S.⁴ Flodström, S.A.⁵

21
- 0001415411
- T. Kinoshita, S. Kono, T. Sagawa, Phys. Rev. B 32 (1985) 2714.
- (1985) Phys. Rev. B , vol.32 , pp. 2714
- Kinoshita, T.¹ Kono, S.² Sagawa, T.³

22
- 0022161577
- T. Kinoshita, S. Kono, T. Sagawa, Solid State Commun. 56 (1985) 681.
- (1985) Solid State Commun. , vol.56 , pp. 681
- Kinoshita, T.¹ Kono, S.² Sagawa, T.³

23
- 0000503657
- J.M. Nicholls, B. Reihl, J.E. Northrup, Phys. Rev. B 35 (1987) 4137.
- (1987) Phys. Rev. B , vol.35 , pp. 4137
- Nicholls, J.M.¹ Reihl, B.² Northrup, J.E.³

24
- 0040121915
- A. Kawazu, I. Yokohama, H. Suzuki, H. Takeuchi, H. Sakama, Phys. Rev. B 36 (1987) 9809.
- (1987) Phys. Rev. B , vol.36 , pp. 9809
- Kawazu, A.¹ Yokohama, I.² Suzuki, H.³ Takeuchi, H.⁴ Sakama, H.⁵

25
- 0000612255
- J. Nogami, S.-I. Park, C.F. Quate, Surf. Sci. 203 (1988) L631.
- (1988) Surf. Sci. , vol.203
- Nogami, J.¹ Park, S.-I.² Quate, C.F.³

26
- 84909796222
- R.J. Hamers, J.E. Demuth, J. Vac. Sci. Technol. A 6 (1988) 512.
- (1988) J. Vac. Sci. Technol. A , vol.6 , pp. 512
- Hamers, R.J.¹ Demuth, J.E.²

27
- 3643055424
- D.M. Chen, J.A. Golovchenko, P. Bedrossian, K. Mortensen, Phys. Rev. Lett. 61 (1988) 2867.
- (1988) Phys. Rev. Lett. , vol.61 , pp. 2867
- Chen, D.M.¹ Golovchenko, J.A.² Bedrossian, P.³ Mortensen, K.⁴

28
- 0001654236
- A. Kawazu, H. Sakama, Phys. Rev. B 37 (1988) 2704.
- (1988) Phys. Rev. B , vol.37 , pp. 2704
- Kawazu, A.¹ Sakama, H.²

29
- 0040770451
- J. Rubio, F. Illas, J.M. Ricart, Phys. Rev. B 38 (1988) 10700.
- (1988) Phys. Rev. B , vol.38 , pp. 10700
- Rubio, J.¹ Illas, F.² Ricart, J.M.³

30
- 0002947704
- H. Daimon, S. Nagano, T. Hanada, S. Ino, S. Suga, Y. Murata, Surf. Sci. 221 (1989) 244.
- (1989) Surf. Sci. , vol.221 , pp. 244
- Daimon, H.¹ Nagano, S.² Hanada, T.³ Ino, S.⁴ Suga, S.⁵ Murata, Y.⁶

31
- 0001365163
- P. Bedrossian, R.D. Meade, K. Mortensen, D.M. Chen, J.A. Golovchenko, D. Vanderbilt, Phys. Rev. Lett. 63 (1989) 1257.
- (1989) Phys. Rev. Lett. , vol.63 , pp. 1257
- Bedrossian, P.¹ Meade, R.D.² Mortensen, K.³ Chen, D.M.⁴ Golovchenko, J.A.⁵ Vanderbilt, D.⁶

32
- 25344472859
- R.D. Meade, D. Vanderbilt, Phys. Rev. Lett. 63 (1989) 1404.
- (1989) Phys. Rev. Lett. , vol.63 , pp. 1404
- Meade, R.D.¹ Vanderbilt, D.²

33
- 35949014710
- J. Zegenhagen, J.R. Patel, P. Freeland, D.M. Chen, J.A. Golovchenko, P. Bedrossian, J.E. Northrup, Phys. Rev. B 39 (1989) 1298.
- (1989) Phys. Rev. B , vol.39 , pp. 1298
- Zegenhagen, J.¹ Patel, J.R.² Freeland, P.³ Chen, D.M.⁴ Golovchenko, J.A.⁵ Bedrossian, P.⁶ Northrup, J.E.⁷

34
- 0000038152
- R.J. Hamers, Phys. Rev. B 40 (1989) 1657.
- (1989) Phys. Rev. B , vol.40 , pp. 1657
- Hamers, R.J.¹

35
- 0040715729
- J.R. Patel, J. Zegenhagen, P.E. Freeland, M.S. Hybertsen, J.A. Golovchenko, D.M. Chen, J. Vac. Sci. Technol. B 7 (1989) 894.
- (1989) J. Vac. Sci. Technol. B , vol.7 , pp. 894
- Patel, J.R.¹ Zegenhagen, J.² Freeland, P.E.³ Hybertsen, M.S.⁴ Golovchenko, J.A.⁵ Chen, D.M.⁶

36
- 0012953826
- J.M. Ricart, J. Rubio, F. Illas, Phys. Rev. B 42 (1990) 5212.
- (1990) Phys. Rev. B , vol.42 , pp. 5212
- Ricart, J.M.¹ Rubio, J.² Illas, F.³

37
- 0001028911
- H. Huang, S.Y. Tong, W.S. Yang, H.D. Shih, F. Jona, Phys. Rev. B 42 (1990) 7483.
- (1990) Phys. Rev. B , vol.42 , pp. 7483
- Huang, H.¹ Tong, S.Y.² Yang, W.S.³ Shih, H.D.⁴ Jona, F.⁵

38
- 84913046747
- D.M. Cornelison, C.S. Chang, I.S.T. Tsong, J. Vac. Sci. Technol. A 8 (1990) 3443.
- (1990) J. Vac. Sci. Technol. A , vol.8 , pp. 3443
- Cornelison, D.M.¹ Chang, C.S.² Tsong, I.S.T.³

39
- 0026835256
- M. Chester, T. Gustafsson, Surf. Sci. 264 (1992) 33.
- (1992) Surf. Sci. , vol.264 , pp. 33
- Chester, M.¹ Gustafsson, T.²

40
- 0026869155
- K. Nishikata, K.-I. Murakami, M. Yoshimura, A. Kawazu, Surf. Sci. 267 (1992) 995.
- (1992) Surf. Sci. , vol.267 , pp. 995
- Nishikata, K.¹ Murakami, K.-I.² Yoshimura, M.³ Kawazu, A.⁴

41
- 3342945402
- H. Wu, G.J. Lapeyre, H. Huang, S.Y. Tong, Phys. Rev. Lett. 71 (1993) 251.
- (1993) Phys. Rev. Lett. , vol.71 , pp. 251
- Wu, H.¹ Lapeyre, G.J.² Huang, H.³ Tong, S.Y.⁴

42
- 0004154395
- K. Takaoka, M. Yoshimura, T. Yao, Phys. Rev. B 48 (1993) 5657.
- (1993) Phys. Rev. B , vol.48 , pp. 5657
- Takaoka, K.¹ Yoshimura, M.² Yao, T.³

43
- 0000273214
- T. Hanada, H. Daimon, S. Ino, Phys. Rev. B 51 (1995) 13320.
- (1995) Phys. Rev. B , vol.51 , pp. 13320
- Hanada, T.¹ Daimon, H.² Ino, S.³

44
- 0003998388
- CRC Press, Cleveland, OH
- CRC, CRC Handbook of Chemistry and Physics, 67th edn, F-160, CRC Press, Cleveland, OH, 1986-1987.
- (1986) CRC Handbook of Chemistry and Physics, 67th Edn

45
- 0000189651
- A.D. Becke, J. Chem. Phys. 98 (1993) 5648.
- (1993) J. Chem. Phys. , vol.98 , pp. 5648
- Becke, A.D.¹

46
- 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

47
- 0345491105
- C. Lee, W. Yang, R.G. Parr, Phys. Rev. B 37 (1988) 785.
- (1988) Phys. Rev. B , vol.37 , pp. 785
- Lee, C.¹ Yang, W.² Parr, R.G.³

48
- 0038596731
- B. Miehlich, A. Savin, H. Stoll, H. Preuss, Chem. Phys. Lett. 157 (1989) 200.
- (1989) Chem. Phys. Lett. , vol.157 , pp. 200
- Miehlich, B.¹ Savin, A.² Stoll, H.³ Preuss, H.⁴

49
- 0004133516
- Gaussian Inc., Pittsburgh, PA
- M.J. Frisch, G.W. Trucks, H.B. Schlegel, P.W.M. Gill, B.G. Johnson, M.A. Robb, J.R. Cheeseman, T.A. Keith, G.A. Petersson, J.A. Montgomery, K. Raghavachari, M.A. Al-Laham, V.G. Zakrzewski, J.V. Ortiz, J.B. Foresman, J. Cioslowski, B.B. Stefanov, A. Nanayakkara, M. Challacombe, C.Y. Peng, P.Y. Ayala, W. Chen, M.W. Wong, J.L. Andres, E.S. Replogle, R. Gomperts, R.L. Martin, D.J. Fox, J.S. Binkley, D.J. Defrees, J. Baker, J.P. Stewart, M. Head-Gordon, C. Gonzalez, J.A. Pople, Gaussian 94, Revision D.4, Gaussian Inc., Pittsburgh, PA, 1995.
- (1995) Gaussian 94, Revision D.4
- Frisch, M.J.¹ Trucks, G.W.² Schlegel, H.B.³ Gill, P.W.M.⁴ Johnson, B.G.⁵ Robb, M.A.⁶ Cheeseman, J.R.⁷ Keith, T.A.⁸ Petersson, G.A.⁹ Montgomery, J.A.¹⁰ Raghavachari, K.¹¹ Al-Laham, M.A.¹² Zakrzewski, V.G.¹³ Ortiz, J.V.¹⁴ Foresman, J.B.¹⁵ Cioslowski, J.¹⁶ Stefanov, B.B.¹⁷ Nanayakkara, A.¹⁸ Challacombe, M.¹⁹ Peng, C.Y.²⁰ more..

50
- 0038035472
- G.A. Petersson, M.A. Al-Laham, J. Chem. Phys. 94 (1991) 6081.
- (1991) J. Chem. Phys. , vol.94 , pp. 6081
- Petersson, G.A.¹ Al-Laham, M.A.²

51
- 36549091806
- G.A. Petersson, A. Bennett, T.G. Tensfeldt, M.A. Al-Laham, W.A. Shirlen, J. Mantzaris, J. Chem. Phys. 89 (1988) 2193.
- (1988) J. Chem. Phys. , vol.89 , pp. 2193
- Petersson, G.A.¹ Bennett, A.² Tensfeldt, T.G.³ Al-Laham, M.A.⁴ Shirlen, W.A.⁵ Mantzaris, J.⁶

52
- 36849115659
- R. Ditchfield, W.J. Hehre, J.A. Pople, J. Chem. Phys. 54 (1971) 724.
- (1971) J. Chem. Phys. , vol.54 , pp. 724
- Ditchfield, R.¹ Hehre, W.J.² Pople, J.A.³

53
- 0347170005
- W.J. Hehre, R. Ditchfield, J.A. Pople, J. Chem. Phys. 56 (1972) 2257.
- (1972) J. Chem. Phys. , vol.56 , pp. 2257
- Hehre, W.J.¹ Ditchfield, R.² Pople, J.A.³

54
- 0000812163
- P.C. Hariharan, J.A. Pople, Mol. Phys. 27 (1974) 209.
- (1974) Mol. Phys. , vol.27 , pp. 209
- Hariharan, P.C.¹ Pople, J.A.²

55
- 85022583881
- M.S. Gordon, Chem. Phys. Lett. 76 (1980) 163.
- (1980) Chem. Phys. Lett. , vol.76 , pp. 163
- Gordon, M.S.¹

56
- 33748545144
- P.C. Hariharan, J.A. Pople, Theo. Chem. Acta 28 (1973) 213.
- (1973) Theo. Chem. Acta , vol.28 , pp. 213
- Hariharan, P.C.¹ Pople, J.A.²

57
- 0040121914
- B.N. Dev, S.M. Mohapatra, K.C. Mishra, W.M. Gibson, T.P. Das, Phys. Rev. B 36 (1987) 2666.
- (1987) Phys. Rev. B , vol.36 , pp. 2666
- Dev, B.N.¹ Mohapatra, S.M.² Mishra, K.C.³ Gibson, W.M.⁴ Das, T.P.⁵

58
- 84914745166
- T. Thundat, S.M. Mohapatra, B.N. Dev, W.M. Gibson, T.P. Das, J. Vac. Sci. Technol. A 6 (1988) 681.
- (1988) J. Vac. Sci. Technol. A , vol.6 , pp. 681
- Thundat, T.¹ Mohapatra, S.M.² Dev, B.N.³ Gibson, W.M.⁴ Das, T.P.⁵

59
- 3643057468
- R.L. Headrick, I.K. Robinson, E. Vlieg, L.C. Feidman, Phys. Rev. Lett. 63 (1989) 1253.
- (1989) Phys. Rev. Lett. , vol.63 , pp. 1253
- Headrick, R.L.¹ Robinson, I.K.² Vlieg, E.³ Feidman, L.C.⁴

60
- 0043034179
- I.-W. Lyo, E. Kaxiras, Ph. Avouris, Phys. Rev. Lett. 63 (1989) 1261.
- (1989) Phys. Rev. Lett. , vol.63 , pp. 1261
- Lyo, I.-W.¹ Kaxiras, E.² Avouris, Ph.³

61
- 84914716299
- C.-T. Kao, L.H. Dubois, R.G. Nuzzo, J. Vac. Sci. Technol. A 9 (1991) 228.
- (1991) J. Vac. Sci. Technol. A , vol.9 , pp. 228
- Kao, C.-T.¹ Dubois, L.H.² Nuzzo, R.G.³

62
- 0003588966
- Van Nostrand, New York
- K.P. Huber, G. Herzberg, Molecular Spectra and Molecular Structure IV. Constants of Diatomic Molecules, Van Nostrand, New York, 1979, p. 30.
- (1979) Molecular Spectra and Molecular Structure IV. Constants of Diatomic Molecules , pp. 30
- Huber, K.P.¹ Herzberg, G.²

63
- 0000727930
- P.M. Agrawal, D.L. Thompson, L.M. Raff, J. Chem. Phys. 92 (1990) 1069.
- (1990) J. Chem. Phys. , vol.92 , pp. 1069
- Agrawal, P.M.¹ Thompson, D.L.² Raff, L.M.³

64
- 36549092600
- B.G. Koehler, C.H. Mak, D.A. Arthur, D.A. Coon, S.M. George, J. Chem. Phys. 89 (1988) 1709.
- (1988) J. Chem. Phys. , vol.89 , pp. 1709
- Koehler, B.G.¹ Mak, C.H.² Arthur, D.A.³ Coon, D.A.⁴ George, S.M.⁵

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