References
- Lijima S. Helical microtubules of graphitic carbon. Nature. 1991;354:56–58. Available from: https://www.nature.com/articles/354056a0.
- Novoselov KS, Geim AK, Morozov SV, et al. Electric field effect in atomically thin carbon films. Science. 2004;306:666–669. Available from: https://science.sciencemag.org/content/306/5696/666.
- Balandin AA, Ghosh S, Bao W, et al. Superior thermal conductivity of single-layer graphene. Nano Lett. 2008;8:902–907. Available from: https://pubs.acs.org/doi/10.1021/nl0731872.
- Park M, Lee SC, Kim YS. Length-dependent lattice thermal conductivity of graphene and its macroscopic limit. J Appl Phys. 2013;114:053506. Available from: https://aip.scitation.org/doi/abs/10.1063/1.4817175.
- Tea NH, Yu R-C, Salamon MB, et al. Thermal conductivity of C60 and C70 crystals. Appl Phys A. 1993;56:219–225. Available from: https://link.springer.com/article/10.1007/BF00539478.
- Fujii M, Zhang X, Xie H, et al. Measuring the thermal conductivity of a single carbon nanotube. Phys Rev Lett. 2005;95:065502. Available from: https://journals.aps.org/prl/abstract/10.1103/PhysRevLett.95.065502.
- Li Q, Liu C, Wang X, et al. Measuring the thermal conductivity of individual carbon nanotubes by the Raman shift method. Nanotechnology. 2009;20:145702. Available from: https://iopscience.iop.org/article/10.1088/0957-4484/20/14/145702/meta.
- Balandina AA. Thermal properties of graphene and nanostructured carbon materials. Nat Mater. 2011;10:569–581. Available from: https://www.nature.com/articles/nmat3064.
- Yamamoto K, Harada T, Nakazaki M, et al. Synthesis and characterization of [7]circulene. J Am Chem Soc. 1983;105:7171–7172. Available from: https://pubs.acs.org/doi/10.1021/ja00362a025.
- Yamamoto K, Saitho Y, Iwaki D, et al. [7.7]circulene, a molecule shaped like a figure of eight. Angew In Ed Engl. 1991;30:1173–1174. Available from: https://onlinelibrary.wiley.com/doi/abs/10.1002/anie.199111731.
- Wennrström O, Thulin B. Synthesis of [2,2](3,6)-phenanthrenophanediene. Acta Chem Scand. 1976;30:369–371. Available from: http://actachemscand.org/doi/10.3891/acta.chem.scand.30b-0369.
- Feng C-N, Kuo M-Y, Wu Y-T. Synthesis, structural analysis, and properties of [8]circulenes. Angew Chem Int Ed. 2013;52:7791–7794. Available from: https://onlinelibrary.wiley.com/doi/abs/10.1002/anie.201303875.
- Sakamoto Y, Suzuri T. Tetrabenzo[8]circulene: aromatic saddles from negatively curved graphene. J Am Chem Soc. 2013;135:14074–14077. Available from: https://pubs.acs.org/doi/10.1021/ja407842z.
- Miller RW, Duncan AK, Schneebeli ST, et al. Synthesis and structural data of tetrabenzo[8]circulene. Chem Eur J. 2014: 3705–3711. Available from: https://chemistry-europe.onlinelibrary.wiley.com/doi/abs/10.1002/chem.201304657.
- King RB. Negative curvature surfaces in chemical structures. J Chem Inf Comput Sci. 1998;38(2):180–188. Available from: https://pubs.acs.org/doi/10.1021/ci970063%2B.
- Pun SH, Miao Q. Toward negatively curved carbons. Acc Chem Res. 2018;51:1630–1642. Available from: https://pubs.acs.org/doi/abs/10.1021/acs.accounts.8b00140.
- Plimpton SJ. Fast parallel algorithms for short-range molecular dynamics. J Comp Phys. 1995;117:1–19. Available from: https://www.sciencedirect.com/science/article/pii/S002199918571039X.
- Smidstrup S, Markussen T, Vancraeyveld P, et al. QuantumATK: an integrated platform of electronic and atomic-scale modelling tools. Journal of Physics: Condensed Matter. 2019;32:015901. Available from: https://iopscience.iop.org/article/10.1088/1361-648X/ab4007.
- Grujicic M, Cao G, Gersten B. Atomic-scale computations of the lattice contribution to thermal conductivity of single-walled carbon nanotubes. Mater Sci Eng B. 2014;107:204–216. Available from: https://www.sciencedirect.com/science/article/abs/pii/S0921510703006469?via%3Dihub.
- Khadem MH, Wemhoff AP. Comparison of Green–Kubo and NEMD heat flux formulations for thermal conductivity prediction using the Tersoff potential. Comput Mater Sci. 2013;69:428–434. Available from: https://doi.org/10.1016/j.commatsci.2012.12.016.
- Dias FS, Machado WS. The effects of computational time parameter in the thermal conductivity of single-walled carbon nanotubes by molecular dynamics simulation. Comput Condensed Matter. 2018;15:21–24. Available from: https://www.sciencedirect.com/science/article/abs/pii/S2352214318300029.
- Stuart SJ, Tutein AB, Harrison JA. A reactive potential for hydrocarbons with intermolecular interactions. J Chem Phys. 2000;112:6472–6486. Available from: https://doi.org/10.1063/1.481208.
- Brenner DW. Empirical potential for hydrocarbons for use in simulating the chemical vapor deposition of diamond films. Phys Rev B. 1990;42:9458–9471. Available from: https://journals.aps.org/prb/abstract/10.1103/PhysRevB.42.9458.
- Turney JE, Landry ES, Mcgaughey AJH, et al. Predicting phonon properties and thermal conductivity from anharmonic lattice dynamics calculations and molecular dynamics simulations. Phys Rev B. 2009;79:064301. Available from: https://journals.aps.org/prb/abstract/10.1103/PhysRevB.79.064301.
- Togo A, Tanaka I. First principles phonon calculations in materials science. Scr Mater. 2015;108:1–5. https://www.sciencedirect.com/science/article/pii/S1359646215003127.
- Carreras A. (2020). Phonolammps. Available from: https://github.com/abelcarreras/phonolammps.
- Kipper AC, da Silva LB. Non equilibrium molecular dynamics simulation study of thermal conductivity in doped graphene nanoribbons. Physica B: Condensed Matter. 2019;556:1–5. Available from: https://www.sciencedirect.com/science/article/abs/pii/S0921452618308214?via%3Dihub.
- Callaway J. Model for lattice thermal conductivity at low temperatures. Phys Rev. 1959;113:1046–1051. Available from: https://journals.aps.org/pr/abstract/10.1103/PhysRev.113.1046.
- Xie G, Shen Y, Wei X, et al. A bond-order theory on the phonon scattering by vacancies in two-dimensional materials. Scietific Reports. 2014;4:5085), Available from: https://www.nature.com/articles/srep05085.
- Pierson HO. 3 – graphite structure and properties handbook of carbon, graphite, diamond and fullerenes: properties, processing and applications. Park Ridge, NJ: Noyes Publications. 1993. p. 43–69. Available from: https://www.sciencedirect.com/science/article/pii/B9780815513391500086.
- Pop E, Varshney V, Roy AK. Thermal properties of graphene: fundamentals and applications. Mater Res Soc. 2012;37:1273–1281. Available from: https://www.cambridge.org/core/journals/mrs-bulletin/article/thermal-properties-of-graphene-fundamentals-and-applications/999F0B6C6878366C0870BBC5F6A33DEE.
- Chen S, Moore AL, Cal W, et al. Raman measurements of thermal transport in suspended monolayer graphene of variable sizes in vacuum and gaseous environments. ACS Nano. 2011;5:321–328. Available from: https://pubs.acs.org/doi/10.1021/nn102915x.
- Chen S, Wu Q, Mishra C, et al. Thermal conductivity of isotopically modified graphene. Nat Mater. 2012;11:203–207. Available from: https://www.nature.com/articles/nmat3207.
- Ng TY, Yeo JJ, Liu ZS. A molecular dynamics study of the thermal conductivity of graphene nanoribbons containing dispersed stone-thrower-wales defects. Carbon NY. 2012;50:4887–4893. Available from: https://www.sciencedirect.com/science/article/abs/pii/S0008622312005234.
- Dias FS, Alves HWL, Machado WS. Investigation of the thermal conductivity in nanographene C80H30 by molecular dynamics. Comput Condensed Matter. 2019;21:e.0041), Available from: https://www.sciencedirect.com/science/article/abs/pii/S2352214319302679.
- Yue S-Y, Ouyang T, Hu M. Diameter dependence of lattice thermal conductivity of single-walled carbon nanotubes: study from Ab initio. Nature: Scientific Reports. 2015;5:1–8. Available from: https://www.nature.com/articles/srep15440.
- Zhu L, Li B. Low thermal conductivity in ultrathin carbon nanotube (2,1). Sci Rep. 2014;4:1–6. Available from: https://www.nature.com/articles/srep04917.
- Tang K, Zhu F, Chen Y, et al. Molecular dynamics simulation on thermal conductivity of single-walled carbon nanotubes. 14th Int Conf Electron Packag Technol. 2013: 583–586. Available from: https://ieeexplore.ieee.org/document/6756538.
- Berber S, Kwon Y-K, Tománek D. Unusually high thermal conductivity of carbon nanotubes. Phys Rev Lett. 2000;84:4613–4616. Available from: https://journals.aps.org/prl/abstract/10.1103/PhysRevLett.84.4613.