Carbon-boron clathrates as a new class of sp 3-bonded framework materials
Abstract
Carbon-based frameworks composed of sp 3 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@B 6C 6, exhibits the cubic bipartite sodalite structure (type VII clathrate) composed of sp 3-bonded truncated octahedral C 12B 12 host cages that trap Sr 2+ guest cations. The clathrate not only maintains the robust nature of diamond-like sp 3 bonding but also offers potential for a broad range of compounds with tunable properties through substitution of guest atoms within the cages.
- Authors:
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[1];
[1];
[2];
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[1];
[4];
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[6];
[1]
- 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)
- Publication Date:
- Research Org.:
- Argonne National Lab. (ANL), Argonne, IL (United States). Advanced Photon Source (APS); Energy Frontier Research Centers (EFRC) (United States). Energy Frontier Research in Extreme Environments (Efree)
- Sponsoring Org.:
- Defense Advanced Research Projects Agency (DARPA); USDOE National Nuclear Security Administration (NNSA); USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22). Scientific User Facilities Division; National Science Foundation (NSF); USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22). Chemical Sciences, Geosciences & Biosciences Division; European Research Council (ERC)
- OSTI Identifier:
- 1599069
- Grant/Contract Number:
- [AC02-06CH11357; W31P4Q1310005; SC0001057; EAR-1634415; FG02-94ER14466; ToMCaT]
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Science Advances
- Additional Journal Information:
- [ Journal Volume: 6; Journal Issue: 2]; Journal ID: ISSN 2375-2548
- Publisher:
- AAAS
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
Citation Formats
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., and Strobel, Timothy A. Carbon-boron clathrates as a new class of sp3-bonded framework materials. United States: N. p., 2020.
Web. doi:10.1126/sciadv.aay8361.
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. Carbon-boron clathrates as a new class of sp3-bonded framework materials. United States. doi:10.1126/sciadv.aay8361.
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., and Strobel, Timothy A. Wed .
"Carbon-boron clathrates as a new class of sp3-bonded framework materials". United States. doi:10.1126/sciadv.aay8361. https://www.osti.gov/servlets/purl/1599069.
@article{osti_1599069,
title = {Carbon-boron clathrates as a new class of sp3-bonded framework materials},
author = {Zhu, Li and Borstad, Gustav M. and Liu, Hanyu and Guńka, Piotr A. and Guerette, Michael and Dolyniuk, Juli-Anna and Meng, Yue and Greenberg, Eran and Prakapenka, Vitali B. and Chaloux, Brian L. and Epshteyn, Albert and Cohen, Ronald E. and Strobel, Timothy A.},
abstractNote = {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.},
doi = {10.1126/sciadv.aay8361},
journal = {Science Advances},
number = [2],
volume = [6],
place = {United States},
year = {2020},
month = {1}
}
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