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Combined experimental and ab initio study of the electronic structure of narrow-diameter single-wall carbon nanotubes with predominant (6,4),(6,5) chirality

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Rubio,  Angel
Nano-Bio Spectroscopy group and ETSF Scientific Development Centre, Depto. Física de Materiales, Universidad del País Vasco;
Centro de Física de Materiales, DIPC, CSIC-UPV/EHU-MPC;
Theory, Fritz Haber Institute, Max Planck Society;

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Citation

De Blauwe, K., Mowbray, D. J., Miyata, Y., Shiozawa, H., Rubio, A., Hoffmann, P., et al. (2010). Combined experimental and ab initio study of the electronic structure of narrow-diameter single-wall carbon nanotubes with predominant (6,4),(6,5) chirality. Physical review / B, 82: 125444. doi:10.1103/PhysRevB.82.125444.


Cite as: https://hdl.handle.net/11858/00-001M-0000-0011-29B0-F
Abstract
Narrow diameter tubes and especially (6,5) tubes with a diameter of 0.75 nm are currently one of the most studied carbon nanotubes because their unique optical and especially luminescence response makes them exceptionally suited for biomedical applications. Here we report on a detailed analysis of the electronic structure of nanotubes with (6,5) and (6,4) chiralities using a combined experimental and theoretical approach. From high-energy spectroscopy involving x-ray absorption and photoemission spectroscopy the detailed valence- and conduction-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