Quasi-1D van der Waals (vdW) crystals with atomic-scale chain motifs offer exciting opportunities for designing ultrathin materials with tailored optical and electronic properties. In collaboration with the Maxx Arguilla research group (UCI), we report the discovery of a covalently bonded [Sb4Te6]ₙ chain—a single-chain polymorph of the 2D vdW solid Sb2Te3—encapsulated inside single-walled carbon nanotubes (SWCNTs). This structure crystallizes into a stoichiometric q-1D form previously inaccessible through heating synthesis. Density Functional Theory (DFT) calculations reveal that the [Sb₄Te₆]ₙ chain is thermodynamically stable within SWCNTs of specific diameters and exhibits electronic properties distinct from the parent 2D crystal, including a small bandgap and preferred interfacial charge transfer. These findings expand the polymorphic and dimensional range of group V–VI materials and highlight SWCNTs as a powerful synthetic platform for isolating atomically precise vdW structures.
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G. M. Milligan* , S. Singsen* , S. To, T. Aoki, B. Y. Zhi, C. J. Collins, K. S. Ogura, E. M.Y. Lee†, and M. Q. Arguilla†: “Precision Synthesis of a Single Chain Polymorph of a 2D Solid within Single‐Walled Carbon Nanotubes”, Advanced Materials, 2025, 2502213 https://doi.org/10.1002/adma.202502213
* co-first author
† co-corresponding author
