@article{d5380e1b33ad4f07931731c6c5889709,
title = "Evidence for Orientational Order in Nanothreads Derived from Thiophene",
abstract = "Nanothreads are one-dimensional sp3 hydrocarbons that pack within pseudohexagonal crystalline lattices. They are believed to lack long-range order along the thread axis and also lack interthread registry. Here we investigate the phase behavior of thiophene up to 35 GPa and establish a pressure-induced phase transition sequence that mirrors previous observations in lowerature studies. Slow compression to 35 GPa results in the formation of a recoverable saturated product with a 2D monoclinic diffraction pattern along (0001) that agrees closely with atomistic simulations for single crystals of thiophene-derived nanothreads. Paradoxically, this lower-symmetry packing signals a higher degree of structural order since it must arise from constituents with a consistent azimuthal orientation about their shared axis. The simplicity of thiophene reaction pathways (with only four carbon atoms per ring) apparently yields the first nanothreads with orientational order, a striking outcome considering that a single point defect in a 1D system can disrupt long-range structural order.",
author = "Arani Biswas and Ward, {Matthew D.} and Tao Wang and Li Zhu and Huang, {Haw Tyng} and Badding, {John V.} and Crespi, {Vincent H.} and Strobel, {Timothy A.}",
note = "Funding Information: This work was designed and executed with support from DARPA under grant W31P4Q-13-1-0005. Computational modeling by TW/VHC and a portion of experimental work by A.B. were supported by the Center for Nanothread Chemistry, funded by the National Science Foundation (CHE-1832471). We thank C. Park, D. Popov, V. Prakapenka, and E. Greenberg of the Advanced Photon Source, Argonne National Laboratory for assistance with X-ray diffraction measurements. Portions of this work were performed at HPCAT (Sector 16) and GSECARS (Sector 13), Advanced Photon Source (APS), Argonne National Laboratory. HPCAT operations are supported by DOE-NNSA{\textquoteright}s Office of Experimental Sciences. GeoSoilEnviroCARS is supported by the National Science Foundation - Earth Sciences (EAR - 1634415) and Department of Energy–GeoSciences (DE-FG02-94ER14466). The Advanced Photon Source is a U.S. Department of Energy (DOE) Office of Science User Facility operated for the DOE Office of Science by Argonne National Laboratory under Contract No. DE-AC02-06CH11357. Publisher Copyright: {\textcopyright} 2019 American Chemical Society.",
year = "2019",
month = nov,
day = "21",
doi = "10.1021/acs.jpclett.9b02546",
language = "English (US)",
volume = "10",
pages = "7164--7171",
journal = "Journal of Physical Chemistry Letters",
issn = "1948-7185",
publisher = "American Chemical Society",
number = "22",
}