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Negative Volume Com...
Negative Volume Compressibility in Sc3N@C-80-Cubane Cocrystal with Charge Transfer
- Article/chapterEnglish2020
Publisher, publication year, extent ...
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2020-04-06
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American Chemical Society (ACS),2020
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Numbers
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LIBRIS-ID:oai:DiVA.org:umu-170823
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https://urn.kb.se/resolve?urn=urn:nbn:se:umu:diva-170823URI
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https://doi.org/10.1021/jacs.0c01703DOI
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Language:English
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Summary in:English
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Subject category:ref swepub-contenttype
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Subject category:art swepub-publicationtype
Notes
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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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Yao, Mingguang
(author)
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Du, Mingrun
(author)
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Yao, Zhen
(author)
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Wang, Yan
(author)
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Dong, Jiajun
(author)
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Yang, Zhenxing
(author)
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Sundqvist, BertilUmeå universitet,Institutionen för fysik(Swepub:umu)besu0001
(author)
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Kovats, Eva
(author)
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Pekker, Sandor
(author)
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Liu, Bingbing
(author)
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Umeå universitetInstitutionen för fysik
(creator_code:org_t)
Related titles
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In:Journal of the American Chemical Society: American Chemical Society (ACS)142:16, s. 7584-75900002-78631520-5126
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Zhang, Ying
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Yao, Mingguang
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Du, Mingrun
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Yao, Zhen
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Wang, Yan
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Dong, Jiajun
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Yang, Zhenxing
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Sundqvist, Berti ...
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Kovats, Eva
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Pekker, Sandor
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Liu, Bingbing
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- NATURAL SCIENCES
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NATURAL SCIENCES
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and Condensed Matter ...
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Umeå University