Further insights into the thermodynamics of linear carbon chains for temperatures ranging from 13 to 300 K
Alexandre Rocha Paschoal, Thiago Alves de Moura, Juan S Rodríguez-Hernández, Carlos William de Araujo Paschoal, Yoong Ahm Kim, Morinobu Endo, Paulo T Araujo
TL;DR
This study explores the thermodynamic behavior of linear carbon chains at low temperatures, extending previous findings and refining key parameters like thermal expansion and specific heat.
Contribution
The study provides more accurate temperature derivatives and extends thermodynamic analysis of LCC to lower temperatures (13–293 K).
Findings
Thermal properties like Grüneisen parameters are refined with corrected derivatives of C-band frequency.
Isolated and bundled LCC@MWCNT show similar vibrational and thermodynamic properties.
Thermodynamic parameters remain stable despite corrected frequency derivatives.
Abstract
It was recently shown that small bundles of linear carbon chains (LCC) encapsulated by double- and multi-wall carbon nanotubes (LCC@DWCNT and LCC@MWCNT, respectively) behave as Debye’s materials for temperatures as high as 293 K with an estimate that such materials could still withstand such characteristics for even higher temperatures (≈700 K). Using the Debye model, thermodynamic observables (internal energy, coefficient of linear thermal expansion, specific heat, thermal strain, and Grüneisen parameter at constant pressure) were empirically determined for the first time in the range of temperatures 70 < T < 293 K. These observables were all correlated with the C-band frequency (ωLCC) dependence on the temperature (T) and its first and second derivatives with relation to T, dωLCC/dT, and d2ωLCC/dT2. The C-band is a Raman spectroscopic signature for LCC, which is not only…
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Taxonomy
TopicsThermal properties of materials · Carbon Nanotubes in Composites · Fullerene Chemistry and Applications