Generating carbon schwarzites via zeolite-templating

作者: Efrem Braun , Yongjin Lee , Seyed Mohamad Moosavi , Senja Barthel , Rocio Mercado

DOI: 10.1073/PNAS.1805062115

关键词: Triply periodic minimal surfaceZeoliteCarbonChemical engineeringPartition (number theory)Materials science

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

参考文章(72)
Hirotomo Nishihara, Takashi Kyotani, Zeolite-Templated Carbon – Its Unique Characteristics and Applications Novel Carbon Adsorbents. pp. 295- 322 ,(2012) , 10.1016/B978-0-08-097744-7.00010-7
H. A. Schwarz, Gesammelte mathematische Abhandlungen Springer Berlin Heidelberg. ,(1890) , 10.1007/978-3-642-50665-9
Jürg Hutter, Marcella Iannuzzi, Florian Schiffmann, Joost VandeVondele, cp2k: atomistic simulations of condensed matter systems Wiley Interdisciplinary Reviews: Computational Molecular Science. ,vol. 4, pp. 15- 25 ,(2014) , 10.1002/WCMS.1159
Hirotomo Nishihara, Quan-Hong Yang, Peng-Xiang Hou, Masashi Unno, Seigo Yamauchi, Riichiro Saito, Juan I. Paredes, Amelia Martínez-Alonso, Juan M.D. Tascón, Yohei Sato, Masami Terauchi, Takashi Kyotani, A possible buckybowl-like structure of zeolite templated carbon Carbon. ,vol. 47, pp. 1220- 1230 ,(2009) , 10.1016/J.CARBON.2008.12.040
S. Brenner, L. B. McCusker, C. Baerlocher, Using a structure envelope to facilitate structure solution from powder diffraction data Journal of Applied Crystallography. ,vol. 30, pp. 1167- 1172 ,(1997) , 10.1107/S0021889897011291
Sten Andersson, S. T. Hyde, Kare Larsson, Sven Lidin, Minimal surfaces and structures: from inorganic and metal crystals to cell membranes and biopolymers Chemical Reviews. ,vol. 88, pp. 221- 242 ,(1988) , 10.1021/CR00083A011
S. J. Ramsden, V. Robins, S. T. Hyde, Three-dimensional Euclidean nets from two-dimensional hyperbolic tilings: kaleidoscopic examples Acta Crystallographica Section A. ,vol. 65, pp. 81- 108 ,(2009) , 10.1107/S0108767308040592
Thomas Lenosky, Xavier Gonze, Michael Teter, Vert Elser, Energetics of negatively curved graphitic carbon Nature. ,vol. 355, pp. 333- 335 ,(1992) , 10.1038/355333A0
Kenneth A. Brakke, The surface evolver Experimental Mathematics. ,vol. 1, pp. 141- 165 ,(1992) , 10.1080/10586458.1992.10504253
María M Martínez-Iñesta, Inmaculada Peral, Thomas Proffen, Raúl F Lobo, None, A pair distribution function analysis of zeolite beta Microporous and Mesoporous Materials. ,vol. 77, pp. 55- 66 ,(2005) , 10.1016/J.MICROMESO.2004.07.040