Change search
CiteExportLink to record
Permanent link

Direct link
Cite
Citation style
  • apa
  • ieee
  • modern-language-association-8th-edition
  • vancouver
  • Other style
More styles
Language
  • de-DE
  • en-GB
  • en-US
  • fi-FI
  • nn-NO
  • nn-NB
  • sv-SE
  • Other locale
More languages
Output format
  • html
  • text
  • asciidoc
  • rtf
On the Stability and Abundance of Single Walled Carbon Nanotubes
Luleå University of Technology, Department of Engineering Sciences and Mathematics, Material Science.ORCID iD: 0000-0003-1542-6170
Department of Physics, Umeå University, Department of Physics, University of California.
Physics Department, Göteborg University.
Department of Physics, Umeå University.
Show others and affiliations
2015 (English)In: Scientific Reports, ISSN 2045-2322, E-ISSN 2045-2322, Vol. 5, 16850Article in journal (Refereed) Published
Abstract [en]

Many nanotechnological applications, using single-walled carbon nanotubes (SWNTs), are only possible with a uniform product. Thus, direct control over the product during chemical vapor deposition (CVD) growth of SWNT is desirable, and much effort has been made towards the ultimate goal of chirality-controlled growth of SWNTs. We have used density functional theory (DFT) to compute the stability of SWNT fragments of all chiralities in the series representing the targeted products for such applications, which we compare to the chiralities of the actual CVD products from all properly analyzed experiments. From this comparison we find that in 84% of the cases the experimental product represents chiralities among the most stable SWNT fragments (within 0.2 eV) from the computations. Our analysis shows that the diameter of the SWNT product is governed by the well-known relation to size of the catalytic nanoparticles, and the specific chirality is normally determined by the product’s relative stability, suggesting thermodynamic control at the early stage of product formation. Based on our findings, we discuss the effect of other experimental parameters on the chirality of the product. Furthermore, we highlight the possibility to produce any tube chirality in the context of recent published work on seeded-controlled growth.

Place, publisher, year, edition, pages
2015. Vol. 5, 16850
National Category
Other Physics Topics
Research subject
Tillämpad fysik
Identifiers
URN: urn:nbn:se:ltu:diva-8424DOI: 10.1038/srep16850Local ID: 6ef8fdc5-e0fd-40e1-8ac0-14060031f749OAI: oai:DiVA.org:ltu-8424DiVA: diva2:981362
Note
Validerad; 2015; Nivå 2; 20151119 (danhed)Available from: 2016-09-29 Created: 2016-09-29 Last updated: 2017-11-24Bibliographically approved
In thesis
1. A Theoretical Study: The Connection between Stability of Single-Walled Carbon Nanotubes and Observed Products
Open this publication in new window or tab >>A Theoretical Study: The Connection between Stability of Single-Walled Carbon Nanotubes and Observed Products
2017 (English)Licentiate thesis, comprehensive summary (Other academic)
Alternative title[sv]
En Teoretisk Studie: Sambandet mellan Stabiliteten for Enkelväggiga Kolnanorör och Observerade Produkter
Abstract [en]

Over the past 20 years’ researchers have tried to utilize the remarkable properties of single-walled carbon nanotubes (SWCNTs) to create new high-tech materials and devices, such as strong light-weight composites, efficient electrical wires and super-fast transistors. But the mass production of these materials and devices are still hampered by the poor uniformity of the produced SWCNTs. These are hollow cylindrical tubes of carbon where the atomic structure of the tube wall consists of just a single atomic layer of carbon atoms arranged in a hexagonal grid. For a SWCNT the orientation of the hexagonal grid making up the tube wall is what determines its properties, this orientation is known as the chirality of a SWCNT. As an example, tubes with certain chiralities will be electrically conductive while others having different chiralities will be semiconducting.

Today’s large scale methods for producing SWCNTs, commonly known as growth of SWCNTs, gives products with a large spread of different chiralities. A mixture of chiralities will give products with a mixture of different properties. This is one of the major problems holding back the use of SWCNTs in future materials and devices. The ultimate goal is to achieve growth where the resulting product is uniform, meaning that all of the SWCNTs have the same chirality, a process termed chirality-specific growth. To achieve chirality-specific growth of SWCNTs requires us to obtain a better fundamental understanding about how they grow, both from an experimental and a theoretical point of view.

This work focuses on theoretical studies of SWCNT properties and how they relate to the growth process, thereby giving us vital new information about how SWCNTs grow and taking us ever closer to achieving the ultimate goal of chirality-specific growth. In this thesis, an introduction to the field is given and the current state of the art experiments focusing on chirality-specific growth of SWCNTs are presented. A brief review of the current theoretical works and computer simulations related to growth of SWCNTs is also presented. The results presented in this thesis are obtained using first principle density functional theory. The first study shows a correlation between the stability of SWCNT-fragments and the observed products from experiments. Calculations confirm that in 84% of the investigated cases the chirality of experimental products matches the chirality of the most stable SWCNT-fragments (within 0.2 eV). Further theoretical calculations also reveal a previously unknown link between the stability of SWCNT-fragments and their length. The calculations show that at specific SWCNT-fragment lengths the most stable chirality changes. Thus, introducing the concept of a switching length for SWCNT stability. How these new results link to the existing understanding of SWCNT growth is discussed at the end of the thesis.

Place, publisher, year, edition, pages
Luleå: Luleå University of Technology, 2017
Series
Licentiate thesis / Luleå University of Technology, ISSN 1402-1757
Keyword
Single-walled carbon nanotubes, density functional theory, catalytic chemical vapor deposition, chirality-specific growth, stability, length, diameter, edge, chirality
National Category
Condensed Matter Physics Atom and Molecular Physics and Optics
Research subject
Applied Physics
Identifiers
urn:nbn:se:ltu:diva-62321 (URN)978-91-7583-837-3 (ISBN)978-91-7583-838-0 (ISBN)
Presentation
2017-05-03, E632, Luleå, 10:00 (English)
Opponent
Supervisors
Available from: 2017-03-09 Created: 2017-03-07 Last updated: 2017-11-24Bibliographically approved

Open Access in DiVA

fulltext(969 kB)106 downloads
File information
File name FULLTEXT01.pdfFile size 969 kBChecksum SHA-512
155d2b3a392a8126cf125e5ab21d9dfe22280b2d3ed54c85dfec9b6ef25b8017c82c2b606812e0fcee68b4f0d35704d7336eb04de516a8ba26db18bdda6af124
Type fulltextMimetype application/pdf
fulltext(116 kB)28 downloads
File information
File name FULLTEXT02.pdfFile size 116 kBChecksum SHA-512
9723a8e80eeaeeea9f37e32fbaa5b32f9e43d50c210d204a90aa64e67fcd22f958fc3fe242689d9b3d51403df49603013ce9e61a8aa23a5f62971b3bd0f0401a
Type fulltextMimetype application/pdf

Other links

Publisher's full text

Search in DiVA

By author/editor
Hedman, DanielLarsson, Andreas
By organisation
Material Science
In the same journal
Scientific Reports
Other Physics Topics

Search outside of DiVA

GoogleGoogle Scholar
Total: 134 downloads
The number of downloads is the sum of all downloads of full texts. It may include eg previous versions that are now no longer available

doi
urn-nbn

Altmetric score

doi
urn-nbn
Total: 534 hits
CiteExportLink to record
Permanent link

Direct link
Cite
Citation style
  • apa
  • ieee
  • modern-language-association-8th-edition
  • vancouver
  • Other style
More styles
Language
  • de-DE
  • en-GB
  • en-US
  • fi-FI
  • nn-NO
  • nn-NB
  • sv-SE
  • Other locale
More languages
Output format
  • html
  • text
  • asciidoc
  • rtf