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Effect of functionalization and charging on resonance energy and radial breathing modes of metallic carbon nanotubes

Bibliographic reference Öberg, S. ; Adjizian, Jean Joseph ; Erbahar, D. ; Rio, J. ; Humbert, B. ; et. al. Effect of functionalization and charging on resonance energy and radial breathing modes of metallic carbon nanotubes. In: Physical review. B, Condensed matter and materials physics, Vol. 93, no. 4, p. 045408 (2016)
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  1. Iijima Sumio, Helical microtubules of graphitic carbon, 10.1038/354056a0
  2. Iijima Sumio, Ichihashi Toshinari, Single-shell carbon nanotubes of 1-nm diameter, 10.1038/363603a0
  3. Bethune D. S., Kiang C. H., de Vries M. S., Gorman G., Savoy R., Vazquez J., Beyers R., Cobalt-catalysed growth of carbon nanotubes with single-atomic-layer walls, 10.1038/363605a0
  4. Banerjee S., Hemraj-Benny T., Wong S. S., Covalent Surface Chemistry of Single-Walled Carbon Nanotubes, 10.1002/adma.200401340
  5. Herrero M. Antonia, Prato Maurizio, Recent Advances in the Covalent Functionalization of Carbon Nanotubes, 10.1080/15421400801898033
  6. Di Crescenzo Antonello, Ettorre Valeria, Fontana Antonella, Non-covalent and reversible functionalization of carbon nanotubes, 10.3762/bjnano.5.178
  7. Kuzmany H., Kukovecz A., Simon F., Holzweber M., Kramberger Ch., Pichler T., Functionalization of carbon nanotubes, 10.1016/j.synthmet.2003.08.018
  8. Rao A. M., Diameter-Selective Raman Scattering from Vibrational Modes in Carbon Nanotubes, 10.1126/science.275.5297.187
  9. Tuinstra F., Koenig J. L., Raman Spectrum of Graphite, 10.1063/1.1674108
  10. Thomsen C., Reich S., Double Resonant Raman Scattering in Graphite, 10.1103/physrevlett.85.5214
  11. Kürti J., Kresse G., Kuzmany H., First-principles calculations of the radial breathing mode of single-wall carbon nanotubes, 10.1103/physrevb.58.r8869
  12. Rao A. M., Chen J., Richter E., Schlecht U., Eklund P. C., Haddon R. C., Venkateswaran U. D., Kwon Y.-K., Tománek D., Effect of van der Waals Interactions on the Raman Modes in Single Walled Carbon Nanotubes, 10.1103/physrevlett.86.3895
  13. Bachilo S. M., Structure-Assigned Optical Spectra of Single-Walled Carbon Nanotubes, 10.1126/science.1078727
  14. Islam S. S., Shah Khurshed Ahmad, Method for determination of nature of single-wall carbon nanotubes (SWCNTs) in a bundle prepared by chemical vapor deposition technique, 10.1587/elex.3.5
  15. Bergeret Céline, Cousseau Jack, Fernandez Vincent, Mevellec Jean-Yves, Lefrant Serge, Spectroscopic Evidence of Carbon Nanotubes’ Metallic Character Loss Induced by Covalent Functionalization via Nitric Acid Purification, 10.1021/jp806602t
  16. Kataura H., Kumazawa Y., Maniwa Y., Umezu I., Suzuki S., Ohtsuka Y., Achiba Y., Optical properties of single-wall carbon nanotubes, 10.1016/s0379-6779(98)00278-1
  17. Mevellec Jean-Yves, Bergeret Céline, Cousseau Jack, Buisson Jean-Pierre, Ewels Christopher P., Lefrant Serge, Tuning the Raman Resonance Behavior of Single-Walled Carbon Nanotubes via Covalent Functionalization, 10.1021/ja2062677
  18. Ménard-Moyon Cécilia, Izard Nicolas, Doris Eric, Mioskowski Charles, Separation of Semiconducting from Metallic Carbon Nanotubes by Selective Functionalization with Azomethine Ylides, 10.1021/ja060802f
  19. Kukovecz A., Kramberger Ch., Holzinger M., Kuzmany H., Schalko J., Mannsberger M., Hirsch A., On the Stacking Behavior of Functionalized Single-Wall Carbon Nanotubes, 10.1021/jp014019f
  20. Bahr Jeffrey L., Yang Jiping, Kosynkin Dmitry V., Bronikowski Michael J., Smalley Richard E., Tour James M., Functionalization of Carbon Nanotubes by Electrochemical Reduction of Aryl Diazonium Salts:  A Bucky Paper Electrode, 10.1021/ja010462s
  21. Cambré Sofie, Schoeters Bob, Luyckx Sten, Goovaerts Etienne, Wenseleers Wim, Experimental Observation of Single-File Water Filling of Thin Single-Wall Carbon Nanotubes Down to Chiral Index (5,3), 10.1103/physrevlett.104.207401
  22. Kawasaki S., Komatsu K., Okino F., Touhara H., Kataura H., Fluorination of open- and closed-end single-walled carbon nanotubes, 10.1039/b317011j
  23. Pehrsson Pehr E., Zhao Wei, Baldwin Jeffrey W., Song Chulho, Liu Jie, Kooi Steven, Zheng Bo, Thermal Fluorination and Annealing of Single-Wall Carbon Nanotubes, 10.1021/jp027233s
  24. Guo Z X, Ding J W, Xiao Y, Xing D Y, Raman frequency shift in oxygen-functionalized carbon nanotubes, 10.1088/0957-4484/18/46/465706
  25. Müller M., Maultzsch J., Wunderlich D., Hirsch A., Thomsen C., Raman spectroscopy on chemically functionalized carbon nanotubes, 10.1002/pssb.200776119
  26. Perdew John P., Wang Yue, Accurate and simple analytic representation of the electron-gas correlation energy, 10.1103/physrevb.45.13244
  27. Jones R., Briddon P.R., Chapter 6 The Ab Initio Cluster Method and the Dynamics of Defects in Semiconductors, Semiconductors and Semimetals (1998) ISBN:9780127521596 p.287-349, 10.1016/s0080-8784(08)63058-6
  28. Rayson M.J., Briddon P.R., Rapid iterative method for electronic-structure eigenproblems using localised basis functions, 10.1016/j.cpc.2007.08.007
  29. Rayson M. J., Briddon P. R., Highly efficient method for Kohn-Sham density functional calculations of500–10 000atom systems, 10.1103/physrevb.80.205104
  30. Briddon P. R., Rayson M. J., Accurate Kohn-Sham DFT with the speed of tight binding: Current techniques and future directions in materials modelling, 10.1002/pssb.201046147
  31. Hartwigsen C., Goedecker S., Hutter J., Relativistic separable dual-space Gaussian pseudopotentials from H to Rn, 10.1103/physrevb.58.3641
  32. J. P. Goss, Theory of Defects in Semiconductors (2007)
  33. Nevidomskyy Andriy H., Csányi Gábor, Payne Michael C., Chemically Active Substitutional Nitrogen Impurity in Carbon Nanotubes, 10.1103/physrevlett.91.105502
  34. Kürti Jeno, Zólyomi Viktor, Kertesz Miklos, Guangyu Sun, The geometry and the radial breathing mode of carbon nanotubes: beyond the ideal behaviour, 10.1088/1367-2630/5/1/125
  35. Sun Guangyu, Kürti Jenö, Kertesz Miklos, Baughman Ray H., Variations of the Geometries and Band Gaps of Single-Walled Carbon Nanotubes and the Effect of Charge Injection, 10.1021/jp022629p
  36. Wang Ning, Guan Lunhui, A chemical combination reaction within single-walled carbon nanotubes, 10.1039/c0nr00005a
  37. Light Scattering in Solids II, ISBN:9783540113805, 10.1007/3-540-11380-0
  38. Costa Sara D., Fantini Cristiano, Righi Ariete, Bachmatiuk Alicja, Rümmeli Mark H., Saito Riichiro, Pimenta Marcos A., Resonant Raman spectroscopy on enriched 13C carbon nanotubes, 10.1016/j.carbon.2011.06.076
  39. Dobardžić E., Maultzsch J., Milošević I., Thomsen C., Damnjanović M., The radial breathing mode frequency in double-walled carbon nanotubes: an analytical approximation, 10.1002/pssb.200301825
  40. Jones R., Goss J., Ewels C., Öberg S., Ab initiocalculations of anharmonicity of the C-H stretch mode in HCN and GaAs, 10.1103/physrevb.50.8378
  41. Farhat H., Sasaki K., Kalbac M., Hofmann M., Saito R., Dresselhaus M. S., Kong J., Softening of the Radial Breathing Mode in Metallic Carbon Nanotubes, 10.1103/physrevlett.102.126804
  42. Sasaki Ken-ichi, Saito Riichiro, Dresselhaus Gene, Dresselhaus Mildred S., Farhat Hootan, Kong Jing, Chirality-dependent frequency shift of radial breathing mode in metallic carbon nanotubes, 10.1103/physrevb.78.235405