Solvent- and Wavelength-Dependent Photoluminescence Relaxation Dynamics of Carbon Nanotube sp3 Defect States

He, Xiaowei; Velizhanin, Kirill A.; Bullard, George; Bai, Yusong; Olivier, Jean-Hubert; Hartmann, Nicolai F.; Gifford, Brendan J.; Kilina, Svetlana; Tretiak, Sergei; Htoon, Han; Therien, Michael J.; Doorn, Stephen K.

doi:10.1021/acsnano.8b02909

Title: Solvent- and Wavelength-Dependent Photoluminescence Relaxation Dynamics of Carbon Nanotube sp³ Defect States

Journal Article · 11 July 2018 · ACS Nano

DOI: https://doi.org/10.1021/acsnano.8b02909 · OSTI ID:1461401

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Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
Duke Univ., Durham, NC (United States). Dept. of Chemistry and French Family Science Center
Los Alamos National Lab. (LANL), Los Alamos, NM (United States); North Dakota State Univ., Fargo, ND (United States). Dept. of Chemistry and Biochemistry
North Dakota State Univ., Fargo, ND (United States). Dept. of Chemistry and Biochemistry

Photoluminescent sp³ defect states introduced to single wall carbon nanotubes (SWCNTs) through low-level covalent functionalization create new photophysical behaviors and functionality as a result of defect sites acting as exciton traps. Evaluation of relaxation dynamics in varying dielectric environments can aid in advancing a more complete description of defect-state relaxation pathways and electronic structure. For this study, we exploit helical wrapping polymers as a route to suspending (6,5) SWCNTs covalently functionalized with 4-methoxybenzene in solvent systems including H₂O, D₂O, methanol, dimethylformamide, tetrahydrofuran, and toluene, spanning a range of dielectric constants from 80 to 3. Defect-state photoluminescence decays were measured as a function of emission wavelength and solvent environment. Emission decays are biexponential, with short lifetime components on the order of 65 ps and long components ranging from around 100 to 350 ps. Both short and long decay components increase as emission wavelength increases, while only the long lifetime component shows a solvent dependence. We demonstrate that the wavelength dependence is a consequence of thermal detrapping of defect-state excitons to produce mobile E₁₁ excitons, providing an important mechanism for loss of defect-state population. Deeper trap states (i.e., those emitting at longer wavelengths) result in a decreased rate for thermal loss. The solvent-independent behavior of the short lifetime component is consistent with its assignment as the characteristic time for redistribution of exciton population between bright and dark defect states. Furthermore, the solvent dependence of the long lifetime component is shown to be consistent with relaxation via an electronic to vibrational energy transfer mechanism, in which energy is resonantly lost to solvent vibrations in a complementary mechanism to multiphonon decay processes.

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Research Organization:: Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22). Scientific User Facilities Division; USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22). Chemical Sciences, Geosciences & Biosciences Division; USDOE Laboratory Directed Research and Development (LDRD) Program

Grant/Contract Number:: AC52-06NA25396; SC0001517

OSTI ID:: 1461401

Report Number(s):: LA-UR--18-23574

Journal Information:: ACS Nano, Journal Name: ACS Nano Journal Issue: 8 Vol. 12; ISSN 1936-0851

Publisher:: American Chemical Society (ACS)Copyright Statement

Country of Publication:: United States

Language:: English

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Solvatochromism of near infrared photoluminescence from doped sites of locally functionalized single-walled carbon nanotubes Shiraki, Tomohiro; Niidome, Yoshiaki; Toshimitsu, Fumiyuki Chemical Communications, Vol. 55, Issue 25 https://doi.org/10.1039/c9cc00829b	journal	January 2019
Intrinsic limits of defect-state photoluminescence dynamics in functionalized carbon nanotubes He, Xiaowei; Sun, Liuyang; Gifford, Brendan J. Nanoscale, Vol. 11, Issue 18 https://doi.org/10.1039/c9nr02175b	journal	January 2019
Exciton relaxation in carbon nanotubes via electronic-to-vibrational energy transfer Velizhanin, Kirill A. The Journal of Chemical Physics, Vol. 151, Issue 14 https://doi.org/10.1063/1.5121300	journal	October 2019

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36 MATERIALS SCIENCE
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
Material Science
electronic-to-vibrational energy transfer
exciton
photoluminescence decay
relaxation dynamics
single wall carbon nanotubes
sp3 defects
thermal detrapping

Title: Solvent- and Wavelength-Dependent Photoluminescence Relaxation Dynamics of Carbon Nanotube sp3 Defect States

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References (54)

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Title: Solvent- and Wavelength-Dependent Photoluminescence Relaxation Dynamics of Carbon Nanotube sp³ Defect States