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Title: Generating carbon schwarzites via zeolite-templating

Abstract

Zeolite-templated carbons (ZTCs) comprise a relatively recent material class synthesized via the chemical vapor deposition of a carbon-containing precursor on a zeolite template, followed by the removal of the template. We have developed a theoretical framework to generate a ZTC model from any given zeolite structure, which we show can successfully predict the structure of known ZTCs. We use our approach to generate a library of ZTCs from all known zeolites, to establish criteria for which zeolites can produce experimentally accessible ZTCs, and to identify over 10 ZTCs that have never before been synthesized. We demonstrate that ZTCs partition space into two disjoint labyrinths that can be described by a pair of interpenetrating nets. Since such a pair of nets also describes a triply periodic minimal surface (TPMS), our results establish the relationship between ZTCs and schwarzites—carbon materials with negative Gaussian curvature that resemble TPMSs—linking the research topics and demonstrating that schwarzites should no longer be thought of as purely hypothetical materials.

Authors:
ORCiD logo; ORCiD logo; ORCiD logo; ORCiD logo; ORCiD logo; ORCiD logo; ORCiD logo; ORCiD logo
Publication Date:
Research Org.:
Energy Frontier Research Centers (EFRC) (United States). Center for Gas Separations Relevant to Clean Energy Technologies (CGS); Univ. of California, Berkeley, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22); Swiss National Science Foundation (SNSF); German Research Foundation (DFG); European Research Council (ERC)
OSTI Identifier:
1464585
Alternate Identifier(s):
OSTI ID: 1547348
Grant/Contract Number:  
SC0001015; AC02- 05CH11231; AC02-05CH11231
Resource Type:
Journal Article: Published Article
Journal Name:
Proceedings of the National Academy of Sciences of the United States of America
Additional Journal Information:
Journal Name: Proceedings of the National Academy of Sciences of the United States of America Journal Volume: 115 Journal Issue: 35; Journal ID: ISSN 0027-8424
Publisher:
Proceedings of the National Academy of Sciences
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; schwarzite; zeolite-templated carbon; triply periodic minimal surface; template carbonization; microporous carbon

Citation Formats

Braun, Efrem, Lee, Yongjin, Moosavi, Seyed Mohamad, Barthel, Senja, Mercado, Rocio, Baburin, Igor A., Proserpio, Davide M., and Smit, Berend. Generating carbon schwarzites via zeolite-templating. United States: N. p., 2018. Web. doi:10.1073/pnas.1805062115.
Braun, Efrem, Lee, Yongjin, Moosavi, Seyed Mohamad, Barthel, Senja, Mercado, Rocio, Baburin, Igor A., Proserpio, Davide M., & Smit, Berend. Generating carbon schwarzites via zeolite-templating. United States. doi:10.1073/pnas.1805062115.
Braun, Efrem, Lee, Yongjin, Moosavi, Seyed Mohamad, Barthel, Senja, Mercado, Rocio, Baburin, Igor A., Proserpio, Davide M., and Smit, Berend. Tue . "Generating carbon schwarzites via zeolite-templating". United States. doi:10.1073/pnas.1805062115.
@article{osti_1464585,
title = {Generating carbon schwarzites via zeolite-templating},
author = {Braun, Efrem and Lee, Yongjin and Moosavi, Seyed Mohamad and Barthel, Senja and Mercado, Rocio and Baburin, Igor A. and Proserpio, Davide M. and Smit, Berend},
abstractNote = {Zeolite-templated carbons (ZTCs) comprise a relatively recent material class synthesized via the chemical vapor deposition of a carbon-containing precursor on a zeolite template, followed by the removal of the template. We have developed a theoretical framework to generate a ZTC model from any given zeolite structure, which we show can successfully predict the structure of known ZTCs. We use our approach to generate a library of ZTCs from all known zeolites, to establish criteria for which zeolites can produce experimentally accessible ZTCs, and to identify over 10 ZTCs that have never before been synthesized. We demonstrate that ZTCs partition space into two disjoint labyrinths that can be described by a pair of interpenetrating nets. Since such a pair of nets also describes a triply periodic minimal surface (TPMS), our results establish the relationship between ZTCs and schwarzites—carbon materials with negative Gaussian curvature that resemble TPMSs—linking the research topics and demonstrating that schwarzites should no longer be thought of as purely hypothetical materials.},
doi = {10.1073/pnas.1805062115},
journal = {Proceedings of the National Academy of Sciences of the United States of America},
issn = {0027-8424},
number = 35,
volume = 115,
place = {United States},
year = {2018},
month = {8}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record at 10.1073/pnas.1805062115

Citation Metrics:
Cited by: 6 works
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