PMID- 30108146
OWN - NLM
STAT- PubMed-not-MEDLINE
DCOM- 20180926
LR  - 20190205
IS  - 1091-6490 (Electronic)
IS  - 0027-8424 (Print)
IS  - 0027-8424 (Linking)
VI  - 115
IP  - 35
DP  - 2018 Aug 28
TI  - Generating carbon schwarzites via zeolite-templating.
PG  - E8116-E8124
LID - 10.1073/pnas.1805062115 [doi]
AB  - 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.
CI  - Copyright (c) 2018 the Author(s). Published by PNAS.
FAU - Braun, Efrem
AU  - Braun E
AUID- ORCID: 0000-0001-5379-7031
AD  - Department of Chemical and Biomolecular Engineering, University of California, 
      Berkeley, CA 94720.
FAU - Lee, Yongjin
AU  - Lee Y
AUID- ORCID: 0000-0001-8166-2935
AD  - Institut des Sciences et Ingenierie Chimiques (ISIC), Valais, Ecole Polytechnique 
      Federale de Lausanne (EPFL), CH-1951 Sion, Switzerland.
AD  - School of Physical Science and Technology, ShanghaiTech University, Shanghai 
      201210, China.
FAU - Moosavi, Seyed Mohamad
AU  - Moosavi SM
AUID- ORCID: 0000-0002-0357-5729
AD  - Institut des Sciences et Ingenierie Chimiques (ISIC), Valais, Ecole Polytechnique 
      Federale de Lausanne (EPFL), CH-1951 Sion, Switzerland.
FAU - Barthel, Senja
AU  - Barthel S
AUID- ORCID: 0000-0002-9175-5067
AD  - Institut des Sciences et Ingenierie Chimiques (ISIC), Valais, Ecole Polytechnique 
      Federale de Lausanne (EPFL), CH-1951 Sion, Switzerland.
FAU - Mercado, Rocio
AU  - Mercado R
AUID- ORCID: 0000-0002-6170-6088
AD  - Department of Chemistry, University of California, Berkeley, CA 94720.
FAU - Baburin, Igor A
AU  - Baburin IA
AUID- ORCID: 0000-0003-4971-7646
AD  - Theoretische Chemie, Technische Universitat Dresden, 01062 Dresden, Germany.
FAU - Proserpio, Davide M
AU  - Proserpio DM
AUID- ORCID: 0000-0001-6597-9406
AD  - Dipartimento di Chimica, Universita degli Studi di Milano, 20133 Milan, Italy.
AD  - Samara Center for Theoretical Materials Science (SCTMS), Samara State Technical 
      University, Samara 443100, Russia.
FAU - Smit, Berend
AU  - Smit B
AUID- ORCID: 0000-0003-4653-8562
AD  - Department of Chemical and Biomolecular Engineering, University of California, 
      Berkeley, CA 94720; berend.smit@epfl.ch.
AD  - Institut des Sciences et Ingenierie Chimiques (ISIC), Valais, Ecole Polytechnique 
      Federale de Lausanne (EPFL), CH-1951 Sion, Switzerland.
LA  - eng
PT  - Journal Article
PT  - Research Support, Non-U.S. Gov't
PT  - Research Support, U.S. Gov't, Non-P.H.S.
DEP - 20180814
PL  - United States
TA  - Proc Natl Acad Sci U S A
JT  - Proceedings of the National Academy of Sciences of the United States of America
JID - 7505876
PMC - PMC6126744
OTO - NOTNLM
OT  - microporous carbon
OT  - schwarzite
OT  - template carbonization
OT  - triply periodic minimal surface
OT  - zeolite-templated carbon
COIS- Author contributions: E.B. and B.S. designed research; E.B., Y.L., S.M.M., S.B., 
      R.M., I.A.B., and D.M.P. performed research; and E.B., S.M.M., S.B., D.M.P., and 
      B.S. wrote the paper. Conflict of interest statement: The authors, the University 
      of California, and EPFL have filed a provisional patent application on some of 
      the results contained herein.
EDAT- 2018/08/16 06:00
MHDA- 2018/08/16 06:01
PMCR- 2018/08/14
CRDT- 2018/08/16 06:00
PHST- 2018/08/16 06:00 [pubmed]
PHST- 2018/08/16 06:01 [medline]
PHST- 2018/08/16 06:00 [entrez]
PHST- 2018/08/14 00:00 [pmc-release]
AID - 1805062115 [pii]
AID - 201805062 [pii]
AID - 10.1073/pnas.1805062115 [doi]
PST - ppublish
SO  - Proc Natl Acad Sci U S A. 2018 Aug 28;115(35):E8116-E8124. doi: 
      10.1073/pnas.1805062115. Epub 2018 Aug 14.