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Elacqua - furan NTs - 2020.pdf (9.88 MB)
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Scalable Synthesis of Crystalline One-Dimensional Carbon Nanothreads Through Modest-Pressure Polymerization of Furan

preprint
submitted on 20.05.2020 and posted on 21.05.2020 by Steven Huss, Sikai Wu, Bo Chen, Tao Wang, Margaret Gerthoffer, Roald Hoffmann, Vincent Crespi, John Badding, Elizabeth Elacqua

Carbon nanothreads, which are unique one-dimensional sp3-rich polymers, combine high tensile strength with flexibility owing to subnanometer widths and diamond-like cores. These extended carbon solids are constructed through pressure-induced polymerization of sp2 molecules such as benzene. Whereas a few examples of carbon nanothreads have been reported, the need for high onset pressures ( ≥ 17 GPa) to synthesize them precludes scalability and limits scope. Herein, we report the scalable synthesis of carbon nanothreads based on molecular furan, which can be achieved through ambient temperature pressure-induced polymerization with an onset reaction pressure of only 10 GPa due to its lessened aromaticity relative to other molecular precursors. When slowly compressed to 15 GPa and gradually decompressed to 1.5 GPa, a sharp six-fold diffraction pattern is observed in situ, indicating a well‐ordered crystalline material formed from liquid furan. Single-crystal X-ray diffraction of the reaction product exhibits three distinct d-spacings from 4.75 to 4.9 Å, whose size, angular spacing, and degree of anisotropy are consistent with our atomistic simulations for crystals of furan nanothreads. Further evidence for polymerization was obtained by powder XRD and Raman/IR spectroscopy. Comparison of the IR spectra with computed vibrational modes provides identification of spectral features characteristic of specific nanothreads, namely syn, anti, and syn/anti configurations. Furan therefore presents a strategic entry toward scalable carbon nanothreads.

Funding

NSF CCI: CHE-1832471

History

Email Address of Submitting Author

elizabeth.elacqua@psu.edu

Institution

The Pennsylvania State University

Country

United States

ORCID For Submitting Author

0000-0002-1239-9560

Declaration of Conflict of Interest

there are no conflicts of interest

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