Energetics of the oxidation and opening of a carbon nanotube

Physical Review B - Condensed Matter and Materials Physics

Volumn 60, Issue 4, 1999, Pages R2208-R2211

  Sanchez Portal D ^c   Soler, J M ^c   Artacho, E ^c  

^a FEDERAL UNIVERSITY OF MINAS GERAIS   (Brazil)

^b UNIVERSITY OF OVIEDO   (Spain)

^c UNIVERSIDAD AUTÓNOMA DE MADRID   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001306821     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.60.R2208     Document Type: Article

References (28)

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26. Note that the numbers in Fig. 22(a) depend on the proposed oxidation process, and that other possibilities, like involving C and O interstitials are plausible, and would affect the results. The origin of the ambiguity is the presence of three references (bulk C, (Formula presented), and (Formula presented) for defining the chemical potential of just two species, C and O. The process proposed involves no extra C atoms. However, the energy differences shown in Fig. 22(b) are independent of these assumptions. There is no ambiguity in the case of the closing process, since, in the absence of (Formula presented), both chemical potentials are well defined.
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