Standard enthalpies of formation of finite-length (5, 5) single-walled carbon nanotube
Source abstract
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.
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Research context
OpenAlex topics: Carbon Nanotubes in Composites · Fullerene Chemistry and Applications · Graphene research and applications
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