| Full text | |
| Author(s): |
Oliveira, Eliezer F.
[1, 2, 3]
;
Machado, Leonardo D.
[4]
;
Baughman, Ray H.
[5]
;
Galvao, Douglas S.
[2, 3]
Total Authors: 4
|
| Affiliation: | [1] Rice Univ, Dept Mat Sci & NanoEngn, Houston, TX 77005 - USA
[2] Univ Estadual Campinas, Gleb Wataghin Inst Phys, Grp Organ Solids & New Mat GSONM, UNICAMP, Campinas, SP - Brazil
[3] Univ Estadual Campinas, Ctr Computat Engn & Sci CCES, UNICAMP, Campinas, SP - Brazil
[4] Fed Univ Rio Grande do Norte UFRN, Dept Theoret & Expt Phys, Natal, RN - Brazil
[5] Univ Texas Dallas, Alan G MacDiarmid NanoTech Inst, Dallas, TX 75080 - USA
Total Affiliations: 5
|
| Document type: | Journal article |
| Source: | COMPUTATIONAL MATERIALS SCIENCE; v. 182, SEP 2020. |
| Web of Science Citations: | 0 |
| Abstract | |
Zeolite-templated carbons (ZTC) are structures synthesized via chemical vapor deposition of precursors inside sacrificial zeolites, with diverse applications. In spite of the interest in ZTC, little is known regarding their mechanical properties. Here, we investigate the thermal and mechanical behaviors of three-dimensional beta zeolite-templated carbon nanotube networks (BZCN). These networks are topologically generated by inserting carbon nanotubes (CNTs) into zeolite channels and connecting them using X-type junctions. We considered two cases, one with the tubes filling all zeolite channels (HD-BZCN) and the other with just partial filling (LD-BZCN). Fully atomistic reactive molecular dynamics (MD) simulations show that the networks exhibit high thermal stability (up to 1000 K). When compressed, the structures can withstand very large strains without fracturing (> 50% for HD-BZCN and > 70% for LD-BZCN). LD-BZCN can be stretched over 100% without fracturing. (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 |