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Zeolite-templated Carbon Network: A Beta Zeolite Case Study

Published online by Cambridge University Press:  23 March 2020

Eliezer F. Oliveira
Affiliation:
Gleb Wataghin Institute of Physics, University of Campinas (UNICAMP), Campinas, SP, Brazil Center for Computational Engineering & Sciences (CCES), University of Campinas (UNICAMP), Campinas, SP, Brazil Department of Materials Science and Nanoengineering, Rice University, Houston, TX, United States
Leonardo D. Machado
Affiliation:
Department of Theoretical and Experimental Physics, Federal University of Rio Grande do Norte (UFRN), Natal, RN, Brazil
Ray H. Baughman
Affiliation:
Alan G. MacDiarmid NanoTech Institute, The University of Texas at Dallas, Dallas, Texas, 75080-3021, United States
Douglas S. Galvao
Affiliation:
Gleb Wataghin Institute of Physics, University of Campinas (UNICAMP), Campinas, SP, Brazil Center for Computational Engineering & Sciences (CCES), University of Campinas (UNICAMP), Campinas, SP, Brazil
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Abstract

In this work, we report a preliminary study, based on molecular dynamics simulations, about 3D carbon nanotube networks that could be formed inside the beta zeolites. We investigated their structural stability and mechanical properties. Our results show that from all possible carbon nanotubes that can be embedded inside the channels of the beta zeolite, the one with chirality (6,0) is the most stable. Using the carbon nanotube (6,0), it is possible to build 3D structures with both all (higher density) and only partially (lower density) filled zeolite channels. Under tensile uniaxial force, the 3D low-density carbon nanotube networks are anisotropic and can be stretched along the direction in which all nanotubes are perpendicular up to 130% of strain without fracture. Also, the porosity and network stiffness can be tuned depending on the amount of carbon nanotubes filling the channels of the zeolites.

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Copyright
Copyright © Materials Research Society 2020

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