Electronic structure and chemical nature of oxygen dopant states in carbon nanotubes

ACS Nano

Volumn 8, Issue 10, 2014, Pages 10782-10789

  Ma, Xuedan ^a   Adamska, Lyudmyla ^b   Yamaguchi, Hisato ^a   Yalcin, Sibel Ebru ^a   Tretiak, Sergei ^a,b   Doorn, Stephen K ^a   Htoon, Han ^a  

^a CENTER FOR INTEGRATED NANOTECHNOLOGIES   (United States)

^b LOS ALAMOS NATIONAL LABORATORY   (United States)

Author keywords

carbon nanotubes; electronic structure; exciton localization; oxygen doping; photoluminescence

Indexed keywords

CARBON NANOTUBES; ELECTRONIC STRUCTURE; EXCITONS; NANOTUBES; OXYGEN; PHOTOLUMINESCENCE; RED SHIFT; TEMPERATURE; WAVE FUNCTIONS;

ASYMMETRIC BROADENING; ASYMMETRIC EMISSION; EXCITON LOCALIZATION; INHOMOGENEOUS BROADENING; LOW TEMPERATURE PHOTOLUMINESCENCE; OXYGEN DOPING; SINGLE-WALLED CARBON NANOTUBE (SWCNTS); STRUCTURE SIMULATIONS;

SINGLE-WALLED CARBON NANOTUBES (SWCN);

EID: 84908425685     PISSN: 19360851     EISSN: 1936086X     Source Type: Journal    
DOI: 10.1021/nn504553y     Document Type: Article

References (54)

1. Avouris, P.; Freitag, M.; Perebeinos, V. Carbon-Nanotube Photonics and Optoelectronics Nat. Photonics 2008, 2, 341-350
2. Barone, P. W.; Baik, S.; Heller, D. A.; Strano, M. S. Near-Infrared Optical Sensors Based on Single-Walled Carbon Nanotubes Nat. Mater. 2005, 4, 86-92
3. Welsher, K.; Liu, Z.; Sherlock, S. P.; Robinson, J. T.; Chen, Z.; Daranciang, D.; Dai, H. J. A Route to Brightly Fluorescent Carbon Nanotubes for near-Infrared Imaging in Mice Nat. Nanotechnol. 2009, 4, 773-780
4. Hoegele, A.; Galland, C.; Winger, M.; Imamoglu, A. Photon Antibunching in the Photoluminescence Spectra of a Single Carbon Nanotube Phys. Rev. Lett. 2008, 100, 217401
5. Hofmann, M. S.; Glueckert, J. T.; Noe, J.; Bourjau, C.; Dehmel, R.; Hoegele, A. Bright, Long-Lived and Coherent Excitons in Carbon Nanotube Quantum Dots Nat. Nanotechnol. 2013, 8 (7) 502-505
6. Walden-Newman, W.; Sarpkaya, I.; Strauf, S. Quantum Light Signatures and Nanosecond Spectral Diffusion from Cavity-Embedded Carbon Nanotubes Nano Lett. 2012, 12, 1934-1941
7. Crochet, J.; Clemens, M.; Hertel, T. Quantum Yield Heterogeneities of Aqueous Single-Wall Carbon Nanotube Suspensions J. Am. Chem. Soc. 2007, 129, 8058-8059
8. Tsyboulski, D. A.; Rocha, J.-D. R.; Bachilo, S. M.; Cognet, L.; Weisman, R. B. Structure-Dependent Fluorescence Efficiencies in Single-Walled Carbon Nanotubes Nano Lett. 2007, 7, 3080-3085
9. Carlson, L. J.; Maccagnano, S. E.; Zheng, M.; Silcox, J.; Krauss, T. D. Fluorescence Efficiency of Individual Carbon Nanotubes Nano Lett. 2007, 7, 3698-3703
10. Miyauchi, Y.; Hirori, H.; Matsuda, K.; Kanemitsu, Y. Radiative Lifetimes and Coherence Lengths of One-Dimensional Excitons in Single-Walled Carbon Nanotubes Phys. Rev. B 2009, 80, 081410(R)
11. Hertel, T.; Himmelein, S.; Ackermann, T.; Stich, D.; Crochet, J. Diffusion Limited Photoluminescence Quantum Yields in 1-D Semiconductors: Single-Wall Carbon Nanotubes ACS Nano 2010, 4, 7161-7168
12. Mouri, S.; Miyauchi, Y.; Matsuda, K. Dispersion-Process Effects on the Photoluminescence Quantum Yields of Single-Walled Carbon Nanotubes Dispersed Using Aromatic Polymers J. Phys. Chem. C 2012, 116, 10282-10286
13. Berciaud, S.; Cognet, L.; Lounis, B. Luminescence Decay and the Absorption Cross Section of Individual Single-Walled Carbon Nanotubes Phys. Rev. Lett. 2008, 101, 077402
14. Ju, S.-Y.; Kopcha, W. P.; Papadimitrakopoulos, F. Brightly Fluorescent Single-Walled Carbon Nanotubes via an Oxygen-Excluding Surfactant Organization Science 2009, 323, 1319-1323
15. Lee, A. J.; Wang, X.; Carlson, L. J.; Smyder, J. A.; Loesch, B.; Tu, X.; Zheng, M.; Krauss, T. D. Bright Fluorescence from Individual Single-Walled Carbon Nanotubes Nano Lett. 2011, 11, 1636-1640
16. Lefebvre, J.; Austing, D. G.; Bond, J.; Finnie, P. Photoluminescence Imaging of Suspended Single-Walled Carbon Nanotubes Nano Lett. 2006, 6, 1603
17. Alfonsi, J.; Lanzani, G.; Meneghetti, M. Exact Diagonalization of Hubbard Models for the Optical Properties of Single-Wall Carbon Nanotubes New J. Phys. 2010, 12, 083009
18. Mortimer, I. B.; Nicholas, R. J. Role of Bright and Dark Excitons in the Temperature-Dependent Photoluminescence of Carbon Nanotubes Phys. Rev. Lett. 2007, 98, 027404
19. Perebeinos, V.; Tersoff, J.; Avouris, P. Radiative Lifetime of Excitons in Carbon Nanotubes Nano Lett. 2005, 5, 2495-2499
20. Shaver, J.; Kono, J.; Portugall, O.; Krstic, V.; Rikken, G. L. J. A.; Miyauchi, Y.; Maruyama, S.; Perebeinos, V. Magnetic Brightening of Carbon Nanotube Photoluminescence through Symmetry Breaking Nano Lett. 2007, 7, 1851-1855
21. Spataru, S. D.; Ismail-Beigi, S.; Capaz, R. B.; Louie, S. G. Theory and ab Initio Calculation of Radiative Lifetime of Excitons in Semiconducting Carbon Nanotubes Phys. Rev. Lett. 2005, 95, 247402
22. Srivastava, A.; Htoon, H.; Klimov, V. I.; Kono, J. Direct Observation of Dark Excitons in Individual Carbon Nanotubes: Inhomogeneity in the Exchange Splitting Phys. Rev. Lett. 2008, 101 (8) 087402-1-087402-4
23. Cognet, L.; Tsyboulski, D. A.; Rocha, J.-D. R.; Doyle, C. D.; Tour, J. M.; Weisman, R. B. Stepwise Quenching of Exciton Fluorescence in Carbon Nanotubes by Single-Molecule Reactions Science 2007, 316, 1465-1468
24. Crochet, J. J.; Duque, J. G.; Werner, J. H.; Lounis, B.; Cognet, L.; Doorn, S. K. Disorder Limited Exciton Transport in Colloidal Single-Wall Carbon Nanotubes Nano Lett. 2012, 12 (10) 5091-5096
25. Ma, Y.-Z.; Graham, M. W.; Fleming, G. R.; Green, A. A.; Hersam, M. C. Ultrafast Exciton Dephasing in Semiconducting Single-Walled Carbon Nanotubes Phys. Rev. Lett. 2008, 101, 217402
26. Malic, E.; Weber, C.; Richter, M.; Atalla, V.; Klamroth, T.; Saalfrank, P.; Reich, S.; Knorr, A. Microscopic Model of the Optical Absorption of Carbon Nanotubes Functionalized with Molecular Spiropyran Photoswitches Phys. Rev. Lett. 2011, 106, 097401
27. Wang, F.; Dukovic, G.; Brus, L. E.; Heinz, T. F. Time-Resolved Fluorescence of Carbon Nanotubes and Its Implication for Radiative Lifetimes Phys. Rev. Lett. 2004, 92, 177401
28. Wang, Q. H.; Strano, M. S. Carbon Nanotubes: A Bright Future for Defects Nat. Chem. 2013, 5, 812-813
29. Ghosh, S.; Bachilo, S. M.; Simonette, R. A.; Beckingham, K. M.; Weisman, R. B. Oxygen Doping Modifies near-Infrared Band Gaps in Fluorescent Single-Walled Carbon Nanotubes Science 2010, 330, 1656-1659
30. Miyauchi, Y.; Iwamura, M.; Mouri, S.; Kawazoe, T.; Ohtsu, M.; Matsuda, K. Brightening of Excitons in Carbon Nanotubes on Dimensionality Modification Nat. Photonics 2013, 7, 715-719
31. 3 Defects Nat. Chem. 2013, 5, 840-845
32. Finnie, P.; Lefebvre, J. Photoinduced Band Gap Shift and Deep Levels in Luminescent Carbon Nanotubes ACS Nano 2012, 6, 1702-1714
33. Iakoubovskii, K.; Nobutsugu, M.; Kim, Y.; K, M.; Kazaoui, S.; Nalini, B. Midgap Luminescence Centers in Single-Wall Carbon Nanotubes Created by Ultraviolet Illumination Appl. Phys. Lett. 2006, 89, 173108
34. Santos, S. M.; Yuma, B.; Berciaud, S.; Shaver, J.; Gallart, M.; Gilliot, P.; Cognet, L.; Lounis, B. All-Optical Trion Generation in Single-Walled Carbon Nanotubes Phys. Rev. Lett. 2011, 107, 187401
35. Harutyunyan, H.; Gokus, T.; Green, A. A.; Hersam, M. C.; Allegrini, M.; Hartschuh, A. Defect-Induced Photoluminescence from Dark Excitonic States in Individual Single-Walled Carbon Nanotubes Nano Lett. 2009, 9, 2010-2014
36. Nagatsu, K.; Chiashi, S.; Konabe, S.; Homma, Y. Brightening of Triplet Dark Excitons by Atomic Hydrogen Adsorption in Single-Walled Carbon Nanotubes Observed by Photoluminescence Spectroscopy Phys. Rev. Lett. 2010, 105, 157403
37. Akizuki, N.; Iwamura, M.; Mouri, S.; Miyauchi, Y.; Kawasaki, T.; Watanabe, H.; Suemoto, T.; Watanabe, K.; Asano, K.; Matsuda, K. Nonlinear Photoluminescence Properties of Trions in Hole-Doped Single-Walled Carbon Nanotubes Phys. Rev. B 2014, 89, 195432
38. Matsunaga, R.; Matsuda, R.; Kanemitsu, Y. Observation of Charged Excitons in Hole-Doped Carbon Nanotubes Using Photoluminescence and Absorption Spectroscopy Phys. Rev. Lett. 2011, 106, 037404
39. Park, J. S.; Hirana, Y.; Mouri, S.; Miyauchi, Y.; Nakashima, N.; Matsuda, K. Observation of Negative and Positive Trions in the Electrochemically Carrier-Doped Single-Walled Carbon Nanotubes J. Am. Chem. Soc. 2012, 134, 14461-14466
40. Kilina, S.; Ramirez, J.; Tretiak, S. Chemical Functionalization and Brightening of Dark Excitons in Semiconducting Carbon Nanotubes Nano Lett. 2012, 12, 2306
41. Ramirez, J.; Mayo, M. L.; Tretiak, S.; Kilina, S. Electronic Structure Calculations and Optical Spectra of Semiconducting Carbon Nanotube Functionalized by Diazonium Systems Chem. Phys. 2013, 413, 89
42. Mu, J.; Ma, Y.; Yin, H.; Liu, C.; Rohlfing, M. Photoluminescence of Single-Walled Carbon Nanotubes: The Role of Stokes Shift and Impurity Levels Phys. Rev. Lett. 2013, 111, 137401
43. Htoon, H.; OConnell, M. J.; Cox, P. J.; Doorn, S. K.; Klimov, V. I. Low Temperature Emission Spectra of Individual Single-Walled Carbon Nanotubes: Multiplicity of Subspecies within Single-Species Nanotube Ensembles Phys. Rev. Lett. 2004, 93, 027401
44. Tretiak, S. Triplet Absorption in Carbon Nanotubes: A Td-Dft Study Nano Lett. 2007, 7, 2201
45. Galland, C.; Hoegele, A.; Tuereci, H. E.; Imamoglu, A. Non-Markovian Decoherence of Localized Nanotube Excitons by Acoustic Phonons Phys. Rev. Lett. 2008, 101, 067402
46. Vialla, F.; Chassagneux, Y.; Ferreira, R.; Roquelet, C.; Diederichs, C.; Cassabois, G.; Roussignol, P.; Lauret, J. S.; Voisin, C. Unifying the Low-Temperature Photoluminescence Spectra of Carbon Nanotubes: The Role of Acoustic Phonon Confinement Phys. Rev. Lett. 2014, 113 (5) 057402
47. Murakami, Y.; Kono, J. Nonlinear Photoluminescence Excitation Spectroscopy of Carbon Nanotubes: Exploring the Upper Density Limit of One-Dimensional Excitons Phys. Rev. Lett. 2009, 102, 037401
48. Xiao, Y.-F.; Nhan, T. Q.; Wilson, M. W. B.; Fraser, J. M. Saturation of the Photoluminescence at Few-Exciton Levels in a Single-Walled Carbon Nanotube under Ultrafast Excitation Phys. Rev. Lett. 2010, 104, 017401
49. Arnold, M. S.; Green, A. A.; Hulvat, J. F.; Stupp, S. I.; Hersam, M. C. Sorting Carbon Nanotubes by Electronic Structure Using Density Differentiation Nat. Nanotechnol. 2006, 1 (1) 60-65
50. Ghosh, S.; Bachilo, S. M.; Weisman, R. B. Advanced Sorting of Single-Walled Carbon Nanotubes by Nonlinear Density-Gradient Ultracentrifugation Nat. Nanotechnol. 2010, 5 (6) 443-450
51. Kilina, S.; Tretiak, S. Excitonic and Vibrational Properties of Single-Walled Semiconducting Carbon Nanotubes Adv. Funct. Mater. 2007, 17 (17) 3405-3420
52. Dewar, M. J. S.; Zoebisch, E. G.; Healy, E. F.; Stewart, J. J. P. Am1: A New General Purpose Quantum Mechanical Molecular Model J. Am. Chem. Soc. 1985, 107, 3902
53. Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Scalmani, G.; Barone, V.; Mennucci, B.; Petersson, G. A. et al. Gaussian 09, Rev. A01, Gaussian, Inc.: Wallingford, CT, 2009.
54. Dukovic, G.; Wang, F.; Song, D.; Sfeir, M. Y.; Heinz, T. F.; Brus, L. E. Structural Dependence of Excitonic Optical Transitions and Band-Gap Energies in Carbon Nanotubes Nano Lett. 2005, 5 (11) 2314-2318