Theoretical Study of Oxygen Adsorption on Graphite and the (8,0) Single-walled Carbon Nanotube
作者： Dan C. Sorescu , Kenneth D. Jordan , Phaedon Avouris
DOI: 10.1021/JP0122979
关键词:
摘要: Spin-polarized density functional calculations are used to study the adsorption of O atoms and O2 molecules on graphite a (8,0) single-walled carbon nanotube. An atom is found bind g...
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Seung-Hoon Jhi, Steven G. Louie, Marvin L. Cohen, Electronic properties of oxidized carbon nanotubes Physical Review Letters. ,vol. 85, pp. 1710- 1713 ,(2000) , 10.1103/PHYSREVLETT.85.1710
Jing Kong, Nathan R Franklin, Chongwu Zhou, Michael G Chapline, Shu Peng, Kyeongjae Cho, Hongjie Dai, Nanotube molecular wires as chemical sensors Science. ,vol. 287, pp. 622- 625 ,(2000) , 10.1126/SCIENCE.287.5453.622
Shu Peng, Kyeongjae Cho, Chemical control of nanotube electronics Nanotechnology. ,vol. 11, pp. 57- 60 ,(2000) , 10.1088/0957-4484/11/2/303
G. Kresse, J. Furthmüller, Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set Computational Materials Science. ,vol. 6, pp. 15- 50 ,(1996) , 10.1016/0927-0256(96)00008-0
Philip G Collins, Keith Bradley, Masa Ishigami, d A Zettl, Extreme oxygen sensitivity of electronic properties of carbon nanotubes Science. ,vol. 287, pp. 1801- 1804 ,(2000) , 10.1126/SCIENCE.287.5459.1801
Keith Bradley, Seung-Hoon Jhi, Philip G. Collins, J. Hone, Marvin L. Cohen, S. G. Louie, A. Zettl, Is the intrinsic thermoelectric power of carbon nanotubes positive Physical Review Letters. ,vol. 85, pp. 4361- 4364 ,(2000) , 10.1103/PHYSREVLETT.85.4361
C. J. Pickard, R. Shah, M. C. Payne, M. D. Segall, Population analysis in plane wave electronic structure calculations Molecular Physics. ,vol. 89, pp. 571- 577 ,(1996) , 10.1080/00268979609482494
Heyong He, Jacek Klinowski, Michael Forster, Anton Lerf, A new structural model for graphite oxide Chemical Physics Letters. ,vol. 287, pp. 53- 56 ,(1998) , 10.1016/S0009-2614(98)00144-4
G Kresse, J Hafner, Norm-conserving and ultrasoft pseudopotentials for first-row and transition elements Journal of Physics: Condensed Matter. ,vol. 6, pp. 8245- 8257 ,(1994) , 10.1088/0953-8984/6/40/015
X-P Tang, A Kleinhammes, H Shimoda, L Fleming, KY Bennoune, S Sinha, C Bower, O Zhou, Y Wu, Electronic Structures of Single-Walled Carbon Nanotubes Determined by NMR Science. ,vol. 288, pp. 492- 494 ,(2000) , 10.1126/SCIENCE.288.5465.492