Carbon monoxide adsorption on small Si clusters: a full-potential linear-muffin-tin-orbital molecular-dynamics study

Journal of Physics Condensed Matter

Volumn 12, Issue 39, 2000, Pages 8357-8368

  Li, Bao Xing ^a,b   Cao, Pei Lin ^a  

^a ZHEJIANG UNIVERSITY   (China)

^b HANGZHOU NORMAL UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION; ATOMS; CHEMICAL BONDS; COMPUTER SIMULATION; MOLECULAR DYNAMICS; MOLECULAR STRUCTURE; MOLECULES; SILICON;

FULL POTENTIAL LINEAR MUFFIN TIN ORBITAL METHOD; SILICON CLUSTER;

CARBON MONOXIDE;

EID: 0034299181     PISSN: 09538984     EISSN: None     Source Type: Journal    
DOI: 10.1088/0953-8984/12/39/301     Document Type: Article

References (40)

1. Jarrold M F 1991 Science 252 1085
2. Creasy W R, O'Keefe A and McDonald J R 1987 J. Phys. Chem. 91 2848
3. Ray U and Jarrold M F 1990 J. Chem. Phys. 94 2631
4. Jarrold M F and Bower J E 1989 Z Phys. D 12 551
5. Jarrold M F, Bower J E and Creegan K 1989 J. Chem. Phys. 90 3615
6. Chelikowsky J R and Phillips J C 1989 Phys. Rev. Lett. 63 1653
7. Creegan K and Jarrold M F 1990 J. Am. Chem. Soc. 112 3768
8. Anderson L R, Maruyama S and Smalley R E 1991 Chem. Phys. Lett. 176 348
9. Jarrold M F and Bower J E 1992 J. Chem. Phys. 96 9180
10. Elkind L, Alford J M, Weiss F D, Laaksonen R T and Smalley R E 1987 J. Chem. Phys. 87 2397
11. Alford J M and Smalley R E 1989 Mater. Res. Soc. Symp. Proc. 131 3
12. Maruyama S, Anderson L R and Smalley R E 1990 J. Chem. Phys. 93 5349
13. Alford M, Laaksonen R T and Smalley R E 1991 J. Chem. Phys. 94 2618
14. Ray U and Jarrold M F 1990 J. Chem. Phys. 93 5709
15. Jarrold M F, Ijiri Y and Ray U 1991 J. Chem. Phys. 94 3607
16. Jarrold M F, Ray U and Creegan K M 1990 J. Chem. Phys. 93 224
17. Jarrold M F and Bower J E 1989 J. Am. Chem. Soc. 111 1979
18. Rhodin Th N and Ertl G (ed) 1979 The Nature of the Surface Chemical Bond (Amsterdam: North-Holland) p 205
19. Chamberlain J P, Clemons J L, Pounds A J and Gillis H P 1994 Surf. Sci. 301 105
20. Krack M and Jug K 1995 Chem. Phys. 192 127
21. Qiu M, Lee L Q, Cao P L and Que D L 1997 J. Phys.: Condens. Matter 9 6543
22. Qiu M, Cao P L and Que D L 1998 Surf. Sci. 395 260
23. Qiu M, Zhou Xu-Van, Jiang M, Cao P L and Zeng Z 1998 Phys. Lett. A 245 430
24. Qiu M, Zhou Xu-Yan, Jiang M and Cao P L 1998 J. Phys.: Condens. Matter 10 7743
25. Methfessel M 1988 Phys. Rev. B 38 1537
26. Methfessel M, Rodriguez C O and Andersen O K 1989 Phys. Rev. B 40 2009
27. Methfessel M and Schilfgaarde M V 1993 Int. J. Mod. Phys. B 7 262
28. Methfessel M and Schilfgaarde M V 1993 Phys. Rev. B 48 4937
29. Kohn W and Sham L J 1965 Phys. Rev. B 140 A1133
30. Andersen O K 1975 Phys. Rev. B 12 3060
31. Springborg M and Anderson O K 1987 J Chem. Phys. 87 7125
32. Raghavachuri K 1990 Phase Transitions 24-26 61
33. Raghavachari K and Logovinsky V 1985 Phys. Rev. Lett. 55 2853
34. Jing X, Troullier N, Cean D, Binggeli N, Chelikowsky J R, Wu K and Saad Y 1994 Phys. Rev. B 50 12 234
35. Binggeli N and Chelikowsky J R 1994 Phys. Rev. B 50 11 764
36. Menon M and Subbaswamy K R 1993 Phys. Rev. B 47 12754
37. Ordejon P, Lebedenko D and Menon M 1994 Phys. Rev. B 50 5645
38. Ho K M, Shvartsburg A A, Pan B, Lu Z Y, Wang C Z, Wacker J G, Fye J L and Jarrold M F 1998 Nature 392 582
39. Anderson A B and Hoffmann R 1974 J. Chem. Phys. 60 4271
40. Cao P L and Zhou R H 1993 J. Phys.: Condens. Matter 5 2887