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The relation between stability and abundance of single walled carbon nanotubes
Luleå tekniska universitet, Institutionen för teknikvetenskap och matematik, Materialvetenskap.ORCID-id: 0000-0003-1542-6170
Department of Physics, Umeå University.
Physics Department, Göteborg University.
Department of Physics, Umeå University.
Vise andre og tillknytning
2015 (engelsk)Konferansepaper, Poster (with or without abstract) (Annet vitenskapelig)
Abstract [en]

The ability to utilize the remarkable electrical and mechanical properties of single walled carbon nanotubes (SWNTs) can be hugely beneficial for technological applications. The limiting factors for these technological applications is that many of them rely on specific electrical/mechanical properties of the SWNT. The mechanical and electrical properties of a SWNT depends on its chiral indecencies n and m, which means that in order to get a desired electrical/mechanical property one needs to synthesize SWNTs with specific chiral indecencies.Huge effort has been put on trying to synthesize SWNTs with specific chiral indecencies or to post-purify them after synthesis. Although post-purification methods can result in a relatively high yield of SWNTs with specific chiralities, such methods are expensive, time consuming and may damage the SWNTs. A more efficient method would be to selectively grow/synthesize SWNTs with the desired properties. Chemical vapor deposition (CVD) has become a favored technique for trying to achieve selective SWNT growth since the process involves several controllable growth parameters.In our work we have investigated the relation between the relative stability of different SWNTs and compared that to the experimentally observed statistical abundance of the same SWNTs. The relative energy of the SWNTs was calculated using density functional theory with the VASP-code. We have chosen to include all the SWNTs in the (n+m) = 8,9,10,11,12,13,14,15,16,17 and 18-series in our calculations, this equals 80 SWNTs in total. The SWNT models used in our calculations are six layered hydrogen terminated SWNT fragments where each layer contains 2(n+m) carbon atoms.Our calculations show a remarkable connection between the relative stability of the SWNTs and their statistical abundance in experiments. The most stable SWNT in each series correlates with the most abundant SWNT in that series, as found in the experimental results gathered from the literature.

sted, utgiver, år, opplag, sider
2015.
Emneord [en]
Carbon nanotubes, Selective growth, Chirality, Density functional theory, Raman spectroscopy, Photoluminescence, Natural sciences - Physics
Emneord [sv]
Naturvetenskap - Fysik
HSV kategori
Forskningsprogram
Tillämpad fysik
Identifikatorer
URN: urn:nbn:se:ltu:diva-29568Lokal ID: 313ce9f9-bfc3-4577-8725-0f5637db3f36OAI: oai:DiVA.org:ltu-29568DiVA, id: diva2:1002792
Konferanse
Towards Reality in Nanoscale Materials : 09/02/2015 - 11/02/2015
Merknad
Godkänd; 2015; 20150219 (danhed)Tilgjengelig fra: 2016-09-30 Laget: 2016-09-30 Sist oppdatert: 2017-11-25bibliografisk kontrollert

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