1. A combined photoemission and ab initio study of the electronic structure of (6,4)/(6,5) enriched single wall carbon nanotubes
- Author
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Hidetsugu Shiozawa, Hiromichi Kataura, Yasumitsu Miyata, Paola Ayala, P. Hoffmann, Thomas Pichler, Angel Rubio, Duncan J. Mowbray, and Katrien De Blauwe
- Subjects
Materials science ,Photoemission spectroscopy ,Selective chemistry of single-walled nanotubes ,Ab initio ,Single wall carbon nanotubes ,Nanotechnology ,02 engineering and technology ,Carbon nanotube ,Electronic structure ,021001 nanoscience & nanotechnology ,Condensed Matter Physics ,01 natural sciences ,Electronic, Optical and Magnetic Materials ,law.invention ,Optical properties of carbon nanotubes ,Condensed Matter::Materials Science ,Chemical physics ,law ,Ab initio quantum chemistry methods ,0103 physical sciences ,Density functional theory ,010306 general physics ,0210 nano-technology - Abstract
5 páginas, 3 figuras., Due to the growing number of applications of small diameter single wall carbon nanotubes (SWCNTs) in opto-electronics and biological imaging, there is a strong need for a better understanding of their electronic properties. Because (6,5) tubes with a diameter of 0.75 nm are currently the strongest enriched in the CoMoCat synthesis process, they are one of the most studied carbon nanotubes. However, there is still a lack of knowledge on the electronic properties of these tubes. In this paper, we report on a detailed analysis of the electronic structure of (6,4)/(6,5) enriched nanotubes with a combined experimental and theoretical approach. From photoemission the detailed C1s and valence band response of these narrow diameter tubes is studied. The observed electronic structure is in sound agreement with state of the art ab initio calculations using density functional theory., T. P. and K.DBacknowledge financial support from DFG projects PI 440 3/4/5. T. P. thanks the FWF P21333-N20 and H. S. the Leverhulme Trust for support through an early career fellowship and EPSRC through Portfolio Partnership grant. D. J. M. and A. R. thank ETSF-I3 (contract nr. 211956). We acknowledge European Community’s Seventh Framework Program (FP7/2007-2013) under grant agreement No. 226716.
- Published
- 2010
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