Generating carbon schwarzites via zeolite-templating

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

*Corresponding author for this work

Research output: Contribution to JournalArticleAcademicpeer-review

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 method 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 show 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.

Original languageEnglish
Pages (from-to)E8116-E8124
JournalProceedings of the National Academy of Sciences of the United States of America
Volume115
Issue number35
DOIs
Publication statusPublished - 1 Jan 2018
Externally publishedYes

Keywords

  • Microporous carbon
  • Schwarzite
  • Template carbonization
  • Triply periodic minimal surface
  • Zeolite-templated carbon

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