Energetics and stability of vacancies in carbon nanotubes

Solid State Communications

Volumn 151, Issue 6, 2011, Pages 482-486

  Padilha, J E ^a   Amorim, R G ^b   Rocha, A R ^b   Da Silva, A J R ^a   Fazzio, A ^a  

^a UNIVERSITY OF SÃO PAULO   (Brazil)

^b UNIVERSIDADE FEDERAL DO ABC   (Brazil)

Author keywords

A. Carbon nanotubes; C. Defects; D. Magic numbers; D. Stability

Indexed keywords

A. CARBON NANOTUBES; AB INITIO CALCULATIONS; C. DEFECTS; CARBON ATOMS; D. STABILITY; FORMATION ENERGIES; MAGIC NUMBERS;

CARBON NANOTUBES; DEFECTS; GRAPHENE; STABILITY;

DANGLING BONDS;

EID: 79951513547     PISSN: 00381098     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ssc.2010.12.031     Document Type: Article

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37. In CNTs, as opposed to graphene, there is sometimes more than one non-equivalent way of making an n-vacancy due to curvature effects. In this work we only consider, for each n vacancy, the arrangement with the lowest formation energy.
38. In a sense, that would be equivalent to answering whether it is easier to create n single vacancies or only one n-vacancy.
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