2007
DOI: 10.1103/physrevb.76.235413
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Work function of single-walled and multiwalled carbon nanotubes: First-principles study

Abstract: Carbon nanotubes can be viewed as rolled-up graphene sheets. As such, their work functions should be closely related to those of graphene due to geometric and structural similarities. In this paper, we have systematically investigated the work functions of single-walled and multiwalled carbon nanotubes by density functional calculations. The work functions of single-walled carbon nanotubes ͑SWCNTs͒ are very close to those of graphene in the armchair conformation, while for the zigzag and chiral conformations, … Show more

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Cited by 156 publications
(83 citation statements)
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“…We ought to note that the calculated work functions are overestimated when compared with experimental values (∼4.90 eV 54 ) by 20%. Similar overestimations are also reported for the cases of carbon nanotube models when being smaller than 10 Å in diameters 55 , being attributed to the downshift of Fermi levels due to the curvature effect.…”
Section: Computational Detailssupporting
confidence: 83%
“…We ought to note that the calculated work functions are overestimated when compared with experimental values (∼4.90 eV 54 ) by 20%. Similar overestimations are also reported for the cases of carbon nanotube models when being smaller than 10 Å in diameters 55 , being attributed to the downshift of Fermi levels due to the curvature effect.…”
Section: Computational Detailssupporting
confidence: 83%
“…39 In particular, we obtain a CNT work function of 4.4 eV in good agreement with previous calculations. 40 The IP for ͑3,3͒ CNT is not available experimentally, but that of similar CNTs ranges between 4.8 and 5.0 eV, [41][42][43] thus is not far from what calculated here.…”
Section: Carbon Nanotubesmentioning
confidence: 54%
“…4b). Considering that macroscopic graphite has a similar work function as that of CNTs2324, our results imply that individual CNTs exhibit much better electron emission performance as compared to its macroscopic allotrope, of which thermionic emission is assumed to follow Richardson's law.…”
Section: Discussionmentioning
confidence: 75%