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The formation of pentagon-heptagon pair defect by the reconstruction of vacancy defects in carbon nanotube
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10.1063/1.2837632
/content/aip/journal/apl/92/4/10.1063/1.2837632
http://aip.metastore.ingenta.com/content/aip/journal/apl/92/4/10.1063/1.2837632
View: Figures

Figures

Image of FIG. 1.
FIG. 1.

Temperature variation in the TBMD simulation for the (16,0) SWCNT with ten vacancies. Solid circles indicate the simulation time and temperature corresponding to atomistic snapshots (a)–(j) shown in Fig. 2.

Image of FIG. 2.
FIG. 2.

[(a)–(j)] Atomic processes and final structures (bottom figures) in the TBMD simulation for the (16,0) SWCNT with ten vacancies. (a) (at time ), (b) , (c) , (d) , (e) , (f) , (g) , (h) , (i) , and (j) . The carbon atoms in the rear of the tube are concealed in (a)–(j) in order to see the reconstruction of vacancies more clearly. Yellow colors indicate carbon atoms and bonds in hexagonal rings. Red colors indicate carbon atoms and bonds in nonhexagonal rings. Green color (atom 13) in (f) indicates a carbon adatom. See the text for numbers.

Image of FIG. 3.
FIG. 3.

Diffusion process of adatom in the TBMD simulation. (a) (at time ), (b) , (c) , (d) , (e) , and (f) . is the elapsed time relative to the time at Fig. 2(f). Yellow colors indicate carbon atoms and green color (atom 13) indicates a adatom. See the text for numbers.

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/content/aip/journal/apl/92/4/10.1063/1.2837632
2008-01-29
2014-04-23
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: The formation of pentagon-heptagon pair defect by the reconstruction of vacancy defects in carbon nanotube
http://aip.metastore.ingenta.com/content/aip/journal/apl/92/4/10.1063/1.2837632
10.1063/1.2837632
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