Ionization energies of fullerenes - Size and charge dependence

Journal of Physics B: Atomic, Molecular and Optical Physics

Volumn 29, Issue 21, 1996, Pages 5183-5192

  Seifert, G ^a   Vietze, K ^a   Schmidt, R ^a  

^a DRESDEN UNIVERSITY OF TECHNOLOGY   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; ELECTRIC CHARGE; ELECTRIC FIELD EFFECTS; ELECTROSTATICS; GRAPHITE; IONIZATION; MATHEMATICAL MODELS;

IONIZATION ENERGIES;

FULLERENES;

EID: 4243088457     PISSN: 09534075     EISSN: None     Source Type: Journal    
DOI: 10.1088/0953-4075/29/21/028     Document Type: Article

References (63)

1. Hermann A, Schumacher E and Wöste L 1978 J. Chem. Phys. 68 2327 Schumacher E, Kappes M, Marti K, Radi P, Schar M and Schmidhalter B 1984 Ber. Bunsenges. Phys. Chem. 88 220
2. Hermann A, Schumacher E and Wöste L 1978 J. Chem. Phys. 68 2327 Schumacher E, Kappes M, Marti K, Radi P, Schar M and Schmidhalter B 1984 Ber. Bunsenges. Phys. Chem. 88 220
3. Beck D E 1984 Solid State Commun. 49 381
4. Seidl M, Meiwes K H and Brack M 1991 J. Chem. Phys. 95 1295 Brack M 1993 Rev. Mod. Phys. 65 677
5. Seidl M, Meiwes K H and Brack M 1991 J. Chem. Phys. 95 1295 Brack M 1993 Rev. Mod. Phys. 65 677
6. Brechignac C, Cahuzac P, Carlier F and Leygnier J 1989 Phys. Rev. Lett. 63 1368
7. Brechignac C, Cahuzac P, Carlier F, de Frutos M, Leygnier J and Roux J C 1995 J. Chem. Phys. 102 763
8. Chandezon F, Guet F, Huber B, Jalabert D, Maurel M, Monnand E, Ristori C and Rocco J C 1995 Phys. Rev. Lett. 74 3784
9. Lichtenberger D L, Nebesny K W, Ray C D, Huffman D R and Lamb L D 1991 Chem. Phys. Lett. 176 203
10. Scheier P, Dünser B, Wörgötter R, Lezius M, Robl R and Märk T D 1994 Int. J. Mass Spectrosc. Ion Proc. 138 77
11. Steger H, Holzapfel J, Hielscher A, Kamke W and Hertel I V 1995 Chem. Phys. Lett. 234 455 de Vries J, Steger H, Kamke B, Menzel C, Weisser B, Kamke W and Hertel I V 1992 Chem. Phys. Lett. 188 159
12. Steger H, Holzapfel J, Hielscher A, Kamke W and Hertel I V 1995 Chem. Phys. Lett. 234 455 de Vries J, Steger H, Kamke B, Menzel C, Weisser B, Kamke W and Hertel I V 1992 Chem. Phys. Lett. 188 159
13. Wörgötter R, Dünser B, Scheier P and Märk T D 1994 J. Chem. Phys. 101 8674 Scheier P and Märk T D 1995 Int. J. Mass Spectrosc. Ion Proc. 146 233
14. Wörgötter R, Dünser B, Scheier P and Märk T D 1994 J. Chem. Phys. 101 8674 Scheier P and Märk T D 1995 Int. J. Mass Spectrosc. Ion Proc. 146 233
15. Scheier P and Märk T D 1995 Private communication
16. Scheier P and Märk T D 1994 Phys. Rev. Lett. 73 54
17. Huber B 1995 Private communication
18. Wang L S, Conceicao J, Changming J and Smalley R E 1991 Chem. Phys. Lett. 182 5
19. Handschuh H, Ganteför G, Kessler B, Bechthold P S and Eberhardt W 1995 Phys. Rev. Lett. 74 1095
20. Husak J and Schwarz H 1993 Chem. Phys. Lett. 205 187
21. Scuseria G E 1993 Buckminsterfullerenes ed W E Billups and M A Ciufolini (New York: VCH) p 103
22. Saito S and Oshiyama A 1991 Phys. Rev. Lett. 66 2637
23. Weaver J H, Martins J L, Komeda T, Chen Y, Ohno T R, Kroll G H, Troullier N, Haufler R E and Smalley R E 1991 Phys. Rev. Lett. 66 1741
24. Rosen A and Wästberg B 1992 Surf. Science 269 1121
25. Zhang B L, Xu C H, Wang C Z, Chan C T and Ho K M 1992 Phys. Rev. B 46 7333
26. Zhong W, Tomanek D and Bertsch G F 1993 Solid State Commun. 86 607
27. Yannouleas C and Landman U 1994 Chem. Phys. Lett. 217 175
28. Puska K M J and Nieminen R 1993 Phys. Rev. A 47 1181
29. White C T, Mintmire J W, Mowrey R C, Brenner D W, Robertson D H, Harrison J A and Dunlap B I 1993 Buckminsterfullerenes ed W E Billups and M A Ciufolini (New York: VCH) p 125
30. Thumm U 1994 J. Phys. B: At. Mol. Opt. Phys. B 27 3515
31. Walch B, Cocke C L, Voelpel R and Salzborn E 1994 Phys. Rev. Lett. 72 1439
32. Seifert G, Gutierrez R and Schmidt R 1996 Phys. Lett. 211A 357
33. Thumm U, Bastug T and Fricke B 1995 Phys. Rev. A 52 2955
34. Cioslowski J, Patchkovskii S and Thiel W 1996 Chem. Phys. Lett. 248 116
35. Dunlap B I, Brenner D W, Mintmire J W, Mowrey R C and White C T 1991 J. Phys. Chem. 95 8737
36. Baerends E J and Ros P 1978 Int. J. Quantum Chem. Symp. 12 169 Baerends E J 1992 J. Comput. Phys. 99 84 (for technical details of the program see Krijn J and Baerends E J 1984 Internal Report Free University of Amsterdam)
37. Baerends E J and Ros P 1978 Int. J. Quantum Chem. Symp. 12 169 Baerends E J 1992 J. Comput. Phys. 99 84 (for technical details of the program see Krijn J and Baerends E J 1984 Internal Report Free University of Amsterdam)
38. Baerends E J and Ros P 1978 Int. J. Quantum Chem. Symp. 12 169 Baerends E J 1992 J. Comput. Phys. 99 84 (for technical details of the program see Krijn J and Baerends E J 1984 Internal Report Free University of Amsterdam)
39. Boerrigter P M, te Velde G and Baerends E J 1988 Int. J. Quantum Chem. 33 87 te Velde G and Baerends E J 1992 J. Comput. Phys. 99 84
40. Boerrigter P M, te Velde G and Baerends E J 1988 Int. J. Quantum Chem. 33 87 te Velde G and Baerends E J 1992 J. Comput. Phys. 99 84
41. Vosko S H, Wilk L and Nusair M 1980 Can. J. Phys. 58 1200
42. Seifert G and Eschrig H 1985 Phys. Stat. Sol. b 127 573
43. Porezag D, Frauenheim Th, Köhler Th, Seifert G and Kaschner R 1995 Phys. Rev. B 51 12947
44. Eschrig H and Bergen I 1978 Phys. Stat. Sol. b 90 621 Eschrig H 1988 Optimized LCAO Method and the Electronic Structure of Extended Systems (Berlin: Academic)
45. Eschrig H and Bergen I 1978 Phys. Stat. Sol. b 90 621 Eschrig H 1988 Optimized LCAO Method and the Electronic Structure of Extended Systems (Berlin: Academic)
46. Seifert G and Jones R O 1991 Z. Phys. D 20 77
47. Seifert G, Porezag D and Frauenheim Th 1996 Int. J. Quantum Chem. 58 185
48. Manolopoulos D E and Fowler P W 1995 An Atlas of Fullerenes (Oxford: Oxford University Press) Fowler P W Private communication
49. Bakowies D and Thiel W 1991 J. Am. Chem. Soc. 113 3704
50. Yannoni C S, Bernier P P, Bethune D S, Meijer G and Salem J R 1991 J. Am. Chem. Soc. 113 3190
51. McKenzie D R, Davis C A, Cockayne D J H, Muller D A and Vassallo A M 1992 Nature 355 622; J. Phys. Chem. Ref. Data 6 Suppl. No 1
52. McKenzie D R, Davis C A, Cockayne D J H, Muller D A and Vassallo A M 1992 Nature 355 622; J. Phys. Chem. Ref. Data 6 Suppl. No 1
53. Hedberg K, Hedberg L, Bethune D S, Brown C A, Dorn H C, Johnson R D and deVries M 1991 Science 254 410
54. Fowler P W, Heine T, Manolopoulos D E, Mitchell D, Orlandi G, Schmidt R, Seifert G and Zerbetto F 1996 J. Phys. Chem. 100 6984
55. Beck R D, Weis P, Brauchle G and Kappes M 1994 J. Chem. Phys. 100 262
56. Kikuchi K et al 1992 Nature 357 142
57. Manolopoulos D E and Fowler P W 1992 J. Chem. Phys. 96 7603
58. Rosenstock H M, Draxl K, Steiner B W and Herron J T 1977 J. Phys. Chem. Ref. Data 6 Suppl. No 1
59. Wood D M 1981 Phys. Rev. Lett. 46 749
60. Makov G, Nitzan A and Brus L E 1988 J. Chem. Phys. 88 5076
61. Smith F T 1961 J. Chem. Phys. 34 793
62. Sai Baba M, Lakshmi Narashimhan T S, Balasubramanian R and Mathews C K 1993 Int. J. Mass Spectrosc. Ion Proc. 125 R1
63. Zimmermann J A, Eyler J R, Bach S B H and McElvany S W 1991 J. Chem. Phys. 94 3556