Carbon-boron clathrates as a new class of sp3-bonded framework materials

Zhu, Li; Borstad, Gustav M.; Liu, Hanyu; Guńka, Piotr A.; Guerette, Michael; Dolyniuk, Juli-Anna; Meng, Yue; Greenberg, Eran; Prakapenka, Vitali B.; Chaloux, Brian L.; Epshteyn, Albert; Cohen, Ronald E.; Strobel, Timothy A.

doi:10.1126/sciadv.aay8361

Title: Carbon-boron clathrates as a new class of sp³-bonded framework materials

Journal Article · 07 January 2020 · Science Advances

DOI: https://doi.org/10.1126/sciadv.aay8361 · OSTI ID:1599069

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Carnegie Inst. for Science, Washington, DC (United States)
Carnegie Inst. for Science, Washington, DC (United States); Warsaw Univ. of Technology, Warszawa (Poland)
Argonne National Lab. (ANL), Argonne, IL (United States). Advanced Photon Source (APS); Carnegie Inst. for Science, Argonne, IL (United States). High Pressure Collaborative Access Team (HPCAT) and Geophysical Lab.
Univ. of Chicago, IL (United States). Center for Advanced Radiation Sources (CARS)
Naval Research Lab. (NRL), Washington, DC (United States)
Carnegie Inst. for Science, Washington, DC (United States); Ludwig Maximilian Univ., Munich (Germany); Univ. College London (United Kingdom)

Carbon-based frameworks composed of sp³ bonding represent a class of extremely lightweight strong materials, but only diamond and a handful of other compounds exist despite numerous predictions. Thus, there remains a large gap between the number of plausible structures predicted and those synthesized. We used a chemical design principle based on boron substitution to predict and synthesize a three-dimensional carbon-boron framework in a host/guest clathrate structure. The clathrate, with composition 2Sr@B₆C₆, exhibits the cubic bipartite sodalite structure (type VII clathrate) composed of sp³-bonded truncated octahedral C₁₂B₁₂ host cages that trap Sr²⁺ guest cations. The clathrate not only maintains the robust nature of diamond-like sp³ bonding but also offers potential for a broad range of compounds with tunable properties through substitution of guest atoms within the cages.

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Research Organization:: Argonne National Laboratory (ANL), Argonne, IL (United States). Advanced Photon Source (APS); Energy Frontier Research Centers (EFRC) (United States). Energy Frontier Research in Extreme Environments (Efree)

Sponsoring Organization:: Defense Advanced Research Projects Agency (DARPA); European Research Council (ERC); National Science Foundation (NSF); USDOE National Nuclear Security Administration (NNSA); USDOE Office of Science (SC); USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22). Chemical Sciences, Geosciences & Biosciences Division; USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22). Scientific User Facilities Division

Grant/Contract Number:: AC02-06CH11357; FG02-94ER14466; SC0001057

OSTI ID:: 1599069

Journal Information:: Science Advances, Journal Name: Science Advances Journal Issue: 2 Vol. 6; ISSN 2375-2548

Publisher:: AAASCopyright Statement

Country of Publication:: United States

Language:: English

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Title: Carbon-boron clathrates as a new class of sp³-bonded framework materials