Zeolite-templated Carbon Network: A Beta Zeolite Case Study

Author(s)

Oliveira, Eliezer F. ; Machado, Leonardo D. ; Baughman, Ray H. ; Galvao, Douglas S.

• Document type: Journal article
• Source: MRS ADVANCES; v. 5, n. 14-15, p. 6-pg., 2020-01-01.

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. (AU)

• FAPESP's process: 13/08293-7 - CCES - Center for Computational Engineering and Sciences
• Grantee: Munir Salomao Skaf
• Support Opportunities: Research Grants - Research, Innovation and Dissemination Centers - RIDC
• FAPESP's process: 16/18499-0 - Investigation on the structural, mechanical and functional properties of carbon-based nanostructures
• Grantee: Eliezer Fernando de Oliveira
• Support Opportunities: Scholarships in Brazil - Post-Doctoral
• FAPESP's process: 19/07157-9 - DESIGNING NEW 3D STRUCTURES FROM ZEOLITE TEMPLATES FOR 3D PRINTING APPLICATIONS
• Grantee: Eliezer Fernando de Oliveira
• Support Opportunities: Scholarships abroad - Research Internship - Post-doctor