Standard enthalpies of formation of finite-length (5,5) single-walled carbon nanotube

Sun, Chenghua, Lu, Gaoqing and Cheng, Huiming (2008) Standard enthalpies of formation of finite-length (5,5) single-walled carbon nanotube. Journal of Nanoparticle Research, 10 6: 1037-1043. doi:10.1007/s11051-007-9335-2


Author Sun, Chenghua
Lu, Gaoqing
Cheng, Huiming
Title Standard enthalpies of formation of finite-length (5,5) single-walled carbon nanotube
Journal name Journal of Nanoparticle Research   Check publisher's open access policy
ISSN 1388-0764
Publication date 2008-08-01
Year available 2008
Sub-type Article (original research)
DOI 10.1007/s11051-007-9335-2
Open Access Status
Volume 10
Issue 6
Start page 1037
End page 1043
Total pages 7
Editor M. C. Roco
Place of publication Netherlands
Publisher Springer Netherlands
Language eng
Subject C1
030206 Solid State Chemistry
850606 Hydrogen Storage
Abstract Standard enthalpies of formation (Delta H-f(0)) of finite-length ( 5, 5) single- walled carbon nanotubes ( SWNTs) are calculated with the framework of density functional theory. Approximate expressions of (Delta H-f(0)) have been proposed for both H-terminated and C30- capped ( 5, 5) SWNTs, based upon which the calculated values of (Delta H-f(0)) have been reproduced within several kilocalories per mole. It is also found that standard enthalpies of formation contributed by per carbon, Delta H-f(0) (C), oscillate with the increment of the cluster size, suggesting the dependence of the relative stability on the axial length.
Keyword Standard enthalpy of formation
Finite-length
Carbon nanontube
Stability
Modeling and simulation
Density function theory
Q-Index Code C1
Q-Index Status Confirmed Code
Institutional Status UQ

 
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