Generating carbon schwarzites via zeolite-templating

Braun, Efrem; Lee, Yongjin; Moosavi, Seyed Mohamad; Barthel, Senja; Mercado, Rocio; Baburin, Igor A.; Proserpio, Davide M.; Smit, Berend

doi:10.1073/pnas.1805062115

Title: Generating carbon schwarzites via zeolite-templating

Journal Article · 13 August 2018 · Proceedings of the National Academy of Sciences of the United States of America

DOI: https://doi.org/10.1073/pnas.1805062115 · OSTI ID:1464585

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Department of Chemical and Biomolecular Engineering, University of California, Berkeley, CA 94720,
Institut des Sciences et Ingénierie Chimiques (ISIC), Valais, École Polytechnique Fédérale de Lausanne (EPFL), CH-1951 Sion, Switzerland,, School of Physical Science and Technology, ShanghaiTech University, Shanghai 201210, China,
Institut des Sciences et Ingénierie Chimiques (ISIC), Valais, École Polytechnique Fédérale de Lausanne (EPFL), CH-1951 Sion, Switzerland,
Department of Chemistry, University of California, Berkeley, CA 94720,
Theoretische Chemie, Technische Universität Dresden, 01062 Dresden, Germany,
Dipartimento di Chimica, Università degli Studi di Milano, 20133 Milan, Italy,, Samara Center for Theoretical Materials Science (SCTMS), Samara State Technical University, Samara 443100, Russia
Department of Chemical and Biomolecular Engineering, University of California, Berkeley, CA 94720,, Institut des Sciences et Ingénierie Chimiques (ISIC), Valais, École Polytechnique Fédérale de Lausanne (EPFL), CH-1951 Sion, Switzerland,

Significance Nanocarbons can be characterized by their curvature—that is, positively curved fullerenes, zero-curved graphene, and negatively curved schwarzites. Schwartzites are fascinating materials but have not been synthesized yet, although disordered materials with local properties similar to schwarzites (“random schwarzites”) have been isolated. A promising synthetic method allows for the interior surfaces of zeolites to be templated with ${s p}^{2}$ carbon, but theoretical study of these zeolite-templated carbons (ZTCs) has been limited because of their noncrystalline structures. In this work, we develop an improved molecular description of ZTCs, show that they are equivalent to schwartzites, and thus make the experimental discovery of schwarzites ex post facto. Our topological characterization of ZTCs lends insights into how template choice allows for the tunability of ordered microporous carbons.

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Research Organization:: 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 Organization:: Deutsche Forschungsgemeinschaft (DFG); European Research Council (ERC); Swiss National Science Foundation (SNSF); USDOE; USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Grant/Contract Number:: AC02-05CH11231; SC0001015

OSTI ID:: 1464585

Journal Information:: Proceedings of the National Academy of Sciences of the United States of America, Journal Name: Proceedings of the National Academy of Sciences of the United States of America Journal Issue: 35 Vol. 115; ISSN 0027-8424

Publisher:: Proceedings of the National Academy of SciencesCopyright Statement

Country of Publication:: United States

Language:: English

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37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
microporous carbon
schwarzite
template carbonization
triply periodic minimal surface
zeolite-templated carbon

Title: Generating carbon schwarzites via zeolite-templating

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