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  • Zhang, Ying (author)

Negative Volume Compressibility in Sc3N@C-80-Cubane Cocrystal with Charge Transfer

  • Article/chapterEnglish2020

Publisher, publication year, extent ...

  • 2020-04-06
  • American Chemical Society (ACS),2020
  • printrdacarrier

Numbers

  • LIBRIS-ID:oai:DiVA.org:umu-170823
  • https://urn.kb.se/resolve?urn=urn:nbn:se:umu:diva-170823URI
  • https://doi.org/10.1021/jacs.0c01703DOI

Supplementary language notes

  • Language:English
  • Summary in:English

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  • Subject category:ref swepub-contenttype
  • Subject category:art swepub-publicationtype

Notes

  • According to the laws of thermodynamics, materials normally exhibit contraction or expansion along the directions of the applied pressure or tension. Here, we show that a man-made cocrystal of a metallofullerene and highly energetic cubane, with strained sp(3) bonding, may exhibit an anomalous negative volume compressibility. In this cocrystal, the freely rotating fullerene Sc3N@C-80 acts as a structural building block while static cubane molecules fill the lattice interstitial sites. Under high pressure, Sc3N@C-80 keeps stable and preserves the crystalline framework of the materials, while the cubane undergoes a progressive configurational transformation above 6.5 GPa, probably promoted by charge transfer from fullerene to cubane. A further configurational change of the cubane into a low-density configuration at higher pressure results in an anomalous pressure-driven lattice expansion of the cocrystal (similar to 1.8% volume expansion). Such unusual negative compressibility has previously only been predicted by theory and suggested to appear in mechanical metamaterials.

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Added entries (persons, corporate bodies, meetings, titles ...)

  • Yao, Mingguang (author)
  • Du, Mingrun (author)
  • Yao, Zhen (author)
  • Wang, Yan (author)
  • Dong, Jiajun (author)
  • Yang, Zhenxing (author)
  • Sundqvist, BertilUmeå universitet,Institutionen för fysik(Swepub:umu)besu0001 (author)
  • Kovats, Eva (author)
  • Pekker, Sandor (author)
  • Liu, Bingbing (author)
  • Umeå universitetInstitutionen för fysik (creator_code:org_t)

Related titles

  • In:Journal of the American Chemical Society: American Chemical Society (ACS)142:16, s. 7584-75900002-78631520-5126

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