A first-principles study of the effect of charge doping on the 1D polymerization of C 60

Journal of Physics Condensed Matter

Volumn 24, Issue 9, 2012, Pages

  Poloni, R ^a,b   San Miguel, A ^c   Fernandez Serra, M V ^d  

^a UNIVERSITY OF CALIFORNIA   (United States)

^b LAWRENCE BERKELEY NATIONAL LABORATORY   (United States)

^c UNIVERSITÉ LYON 1   (France)

^d STONY BROOK UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CHARGE DOPING; DENSITY FUNCTIONALS; ELECTRON-DOPING; FIRST-PRINCIPLES CALCULATION; FIRST-PRINCIPLES STUDY; INTERMOLECULAR DISTANCE; NUMBER OF ELECTRONS; STRUCTURAL MODIFICATIONS;

CALCULATIONS; QUANTUM CHEMISTRY; SURFACE ANALYSIS;

POLYMERIZATION;

FULLERENE C60; FULLERENE DERIVATIVE;

ARTICLE; CHEMICAL MODEL; CHEMISTRY; ELECTRON; POLYMERIZATION;

ELECTRONS; FULLERENES; MODELS, CHEMICAL; POLYMERIZATION;

EID: 84857378964     PISSN: 09538984     EISSN: 1361648X     Source Type: Journal    
DOI: 10.1088/0953-8984/24/9/095501     Document Type: Article

References (35)

1. Rao A M et al 1993 Science 259 955
2. Iwasa Y et al 1994 Science 264 1570
3. Nnez-Regueiro M, Marques L, Hodeau J L, B̀thoux O and Perroux M 1995 Phys. Rev. Lett. 74 27881
4. Sundqvist B 1999 Adv. Phys. 48 1134
5. Zhao I B, Poirier D N, Pechman R J and Weaver J H 1994 Appl. Phys. Lett. 64 577
6. Pekker S, Janossy A, Mihali L, Chauvet O and Forro L 1994 Science 265 1077
7. Stephens P W, Faigel G B G, Tegze M, Janossy A, Pekker S, Oszlanyi G and Forro L 1994 Nature 370 636
8. Launois P, Moret R, Hone J and Zettl A 1998 Phys. Rev. Lett. 81 4420
9. Verberck B, Michel H and Nikolaev A V 2002 J. Chem. Phys. 116 10462
10. Dresselhaus M S, Dresselhaus G and Eklund P C 1996 Science of Fullerenes and Carbon Nanotubes (New York: Academic)
11. Margadonna S, Pontiroli D, Belli M, Shikora T M R and Ricc M 2004 J. Am. Chem. Soc. 126 15032
12. Halevi E A 2002 J. Phys. Org. Chem. 15 519
13. Poloni R, Machon D, Fernandez-Serra M V, Le Floch S, Pascarelli S, Montagnac G, Cardon H and San-Miguel A 2008 Phys. Rev. B 77 125413
14. Poloni R, Aquilanti G, Toulemonde P, Pascarelli S, Le Floch S, Machon D, Martinez-Blanco D, Morard G and San-Miguel A 2008 Phys. Rev. B 77 205433
15. Poloni R, Toulemonde P, Machon D, Le Floch S, Pascarelli S and San Miguel A 2009 High Press. Res. 29 10812
16. Pederson M R and Quong A A 1992 Phys. Rev. B 46 13584
17. Santos J D, Longo E and Taft C A 2003 J. Mol. Struct. 625 18997
18. Krti J and Ńmeth K 1996 Chem. Phys. Lett. 256 119
19. Fagerstrm J and Stafstrm S 1996 Phys. Rev. B 53 13150
20. Sheka E F 2007 Chem. Phys. Lett. 438 11926
21. San Miguel S 2006 Chem. Soc. Rev. 35 876
22. Soler J M, Artacho E, Gale J D, Garca A, Junquera J, Ordejn P and Sanchez-Portal D S 2002 J. Phys.: Condens. Matter 14 274579
23. Perdew J P and Zunger A 1981 Phys. Rev. B 23 5048
24. Junquera J, Paz O, Snchez-Portal D and Artacho E 2001 Phys. Rev. B 64 235111
25. Anglada E, Soler J M, Junquera J and Artacho E 2002 Phys. Rev. B 66 205101
26. Leslie M and Gillan M J 1985 J. Phys. C: Solid State Phys. 18 973
27. De Vita A, Gillan M J, Lin J S, Payne M C, Stich I and Clarke L J 1992 Phys. Rev. B 46 12964
28. Moret R, Launois P, Persson P A and Sundqvist B 1997 Europhys. Lett. 40 5560
29. Adams G B, Page J B, Sankey O F and OKeeffe M 1994 Phys. Rev. B 50 17471
30. Makov G and Payne M C 1995 Phys. Rev. B 51 4014
31. Yang S H, Pettiette C L, Conceicao J, Cheshnovsky O and Smalley R E 1987 Chem. Phys. Lett. 139 233
32. Girifalco L A 1992 J. Phys. Chem. 96 85861
33. Yannoni C S, Johnson R D, Meijer G, Bethune D S and Salem J R 1991 J. Phys. Chem. 95 910
34. Wang Y, Holden J M, Bi X X and Eklund P C 1994 Chem. Phys. Lett. 217 413
35. Davydov V A, Kashevarova L S, Rakhmanina A V, Senyavin V M, Pronina O P, Oleynikoy N N, Agafonov V, Ceolin R, Allouchi H and Szwarc H 2001 Chem. Phys. Lett. 333 224