A first-principles study of methylcyclohexane adsorption on Pt4 clusters

Journal of Physics B: Atomic, Molecular and Optical Physics

Volumn 43, Issue 18, 2010, Pages

  Yu, Shengping ^a,b   Zeng, Qun ^a   Yang, Shengyong ^a   Yang, Mingli ^a  

^a SICHUAN UNIVERSITY   (China)

^b SICHUAN UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION PATTERNS; DENSITY FUNCTIONAL THEORY CALCULATIONS; FIRST-PRINCIPLES STUDY; INTERACTION PATTERN; METHYLCYCLOHEXANE;

ADSORPTION; COMPLEXATION; DENSITY FUNCTIONAL THEORY; ELECTRONIC STRUCTURE; ISOMERS;

PLATINUM;

EID: 78249264433     PISSN: 09534075     EISSN: 13616455     Source Type: Journal    
DOI: 10.1088/0953-4075/43/18/185101     Document Type: Article

References (62)

1. Orme J P, Curran H J and Simmie J M 2006 J. Phys. Chem. A 110 114
2. Józefowicz M, Heldt J R and Heldt J 2006 Chem. Phys. 323 617
3. Abramczyk H, Brożek B and Kuberski S 2002 Chem. Phys. 280 153
4. Józefowicz M, Kozyra K A, Heldt J R and Heldt J 2005 Chem. Phys. 320 45
5. Vasu S S, Davidson D F, Hong Z and Hanson R K 2009 Energy Fuels 23 175
6. Yolcular S and Olgun O 2008 Catal. Today 138 198
7. Valcárcel A, Clotet A, Ricart J M and Illas F 2005 Chem. Phys. 309 33
8. Bagnich S A, Im C, Bässler H, Neher D and Scherf U 2004 Chem. Phys. 299 11
9. Xiao L and Wang L 2007 J. Phys. Chem. B 111 1657
10. Vajda S et al 2009 Nat. Mater. 8 213
11. Trevor D J, Cox D M and Kaldor A 1990 J. Am. Chem. Soc. 112 3742 5
12. Adlhart C and Uggerud E 2006 Chem. Commun. 2581
13. Koszinowski K, Schröder D and Schwarz H 2003 Organometallics 22 3809
14. Koszinowski K, Schröder D and Schwarz H 2004 Angew. Chem. Int. Ed. 43 121
15. Chen Y Z, Liaw B J and Lai W H 2002 Appl. Catal. A 230 73
16. Owen J S, Labinger J A and Bercaw J E 2006 J. Am. Chem. Soc. 128 2005
17. Gu X H, Zhang J, Dong J H and Nenoff T M 2005 Catal. Lett. 102 9
18. Persson K, Ersson A, Carrera A M, Jayasuriya J, Fakhrai R, Fransson T and Jaras S 2005 Catal. Today 100 479
19. Ramallo-Lopez M A, Requejo F G, Craievich A F, Wei J, Avalos-Borja M and Iglesia E 2005 J. Mol. Catal. A 228 299
20. Martins R L, Baldanza M A, Souza M and Schmal M 2004 Nat. Gas ConVers. VII 147 643
21. Souza M and Schmal M 2003 Appl. Catal. A 255 83
22. Souza M and Schmal M 2003 Catal. Lett. 91 11
23. Aghalayam P, Park Y K, Fernandes N, Papavassiliou V, Mhadeshwar A B and Vlachos D G 2003 J. Catal. 213 23
24. Petrushina I M, Bandur V A, Bjerrum N J, Cappeln F and Qingfeng L 2002 J. Electrochem. Soc. 149 143
25. McDaniel A H, Lutz A E, Allendorf M D and Rice S F 2002 J. Catal. 208 21
26. Pino L, Recupero V, Beninati S, Shukla A K, Hegde M S and Bera P 2002 Appl. Catal. A 225 63
27. Bozo C, Guilhaume N and Herrmann J M 2001 J. Catal. 203 393
28. Eswaramoorthy M, Niwa S, Toba M, Shimada H, Raj A and Mizukami F 2001 Catal. Lett. 71 55
29. Reeves C T, Seets D C and Mullins C B 2001 J. Mol. Catal. A 167 207
30. Ohtsuka H and Tabata T 2001 Appl. Catal. B 29 177
31. Monnet F, Schuurman Y, Aires F C S, Bertolini J C and Mirodatos C 2001 Catal. Today 64 51
32. Brown A S C, Hargreaves J S J and Taylor S H 2000 Catal. Today 59 403
33. Deutschmann O, Maier L I, Riedel U, Stroemman A H and Dibble R W 2000 Catal. Today 59 141
34. Kunihiro T, Morimitsu M and Matsunaga M 2000 J. Appl. Electrochem. 30 359
35. Achatz U, Berg C, Joos S, Fox B S, Beyer M K, Niedner-Schatteburg G and Bondybey V E 2000 Chem. Phys. Lett. 320 53
36. Fathi M, Monnet F, Schuurman Y, Holmen A and Mirodatos C 2000 J. Catal. 190 439
37. Xia F and Cao Z 2006 J. Phys. Chem. A 110 10078
38. Hanmura T, Ichihashi M and Kondow T 2002 J. Phys. Chem. A 106 11465
39. Grönbeck H and Andreoni W 2000 Chem. Phys. 262 1
40. Chen L, Cooper A C, Pez G P and Cheng H 2007 J. Phys. Chem. C 111 5514
41. Nie A, Wu J, Zhou C, Yao S, Luo C, Forrey R C and Cheng H 2007 Int. J. Quantum Chem. 107 219
42. Zhang W, Xiao L, Hirata Y, Pawluk T and Wang L 2004 Chem. Phys. Lett. 383 67
43. Li T and Balbuena P B 2001 J. Phys. Chem. B 105 9943
44. Xiao L and Wang L 2004 J. Phys. Chem. A 108 8605
45. Sebetci A 2006 Chem. Phys. 331 9
46. Becke A D 1988 Phys. Rev. A 38 3098
47. Lee C L, Yang W and Parr R G 1988 Phys. Rev. B 37 785
48. TURBOMOLE V5-9-1 University of Karlsruhe 2007
49. Wood J H and Boring A M 1978 Phys. Rev. B 18 2701
50. Moore C E 1971 NBS Circular No. 467 ed C C Keiths (Washington, DC: US GPO)
51. Ho J, Polak M L, Ervin K M and Lineberger W C 1993 J. Chem. Phys. 99 8542
52. Gupta S K, Nappi B M and Gingerich K A 1981 Inorg. Chem. 20 966
53. Miedema A R and Gingerich K A 1979 J. Phys. B: At. Mol. Phys 12 2081
54. Ribeiro D S and Rittner R 2003 J. Org. Chem. 68 6780
55. Drozdowski H and Nowakowski K 2008 Acta Phys. Polonica A 114 383
56. Perdew J P, Burke K and Ernzerhof M 1996 Phys. Rev. Lett. 77 3865
57. Eichkorn K, Treutler O, Oehm H, Haeser M and Ahlrichs R 1995 Chem. Phys. Lett. 242 652
58. Sierka M, Hogekamp A and Ahlrichs R 2003 J. Chem. Phys. 118 9136
59. Papoian G, Nørskov J K and Hoffmann R 2000 J. Am. Chem. Soc. 122 4129
60. Andrewsa L, Wang X F and Manceron L 2001 J. Chem. Phys. 114 1559
61. Reed A E, Curtiss L A and Weinhold F 1988 Chem. Rev. 88 899
62. Kanai Y and Grossman J C 2009 Phys. Rev. A 80 32504