Chemistry, Physics and Technology of Surface, 2024, 15 (3), 328-339.

Inductive-resonance energy transfer in hybrid carbon nanostructures



DOI: https://doi.org/10.15407/hftp15.03.328

O. Yu. Semchuk, O. O. Havryliuk, A. A. Biliuk

Abstract


Based on the first principles, we have shown that the decisive role in energy transfer from the fluorophore molecule to the carbon substrate (graphene) is played by the Förster-type inductive-resonance energy transfer mechanism. The Förster energy transfer rate can be calculated analytically via Fermi’s golden rule with the momentum-dependent initial final states of the graphene substrates and the HOMO (the highest occupied molecular orbital) and LUMO (the lowest unoccupied molecular orbital) states of the dye molecule. Combining first-principle calculations characterizing the hybrid carbon nanomaterials with tight-binding-based consideration of graphene wave functions allows us to obtain an analytical expression for the Förster energy transfer rate. We constructed graphical dependences of the Förster energy transfer rate at the distance R between substrate (graphene) and dye molecule for several materials. The results obtained can be applied to various hybrids based on carbon nanostructures and in general to the description of energy transfer processes in molecular functionalized nanostructures, once the molecular dipole moment and the substrate - molecule separation are known.


Keywords


graphene; carbon nanotubes; functionalized graphene; dye molecule; Fermi’s golden rule; rate of energy transfer; fluorophore molecules; Förster mechanism; Dexter mechanism; optoelectronics

Full Text:

PDF

References


1. Kenfack G.M.D., Nya F.T., Bouba M.O., Malloum A., Conradie J. Optoelectrical, electronic, and thermodynamic DFT study of a carbon nanoring and its derivative: application as active layer material in organic solar cell performance improvement and nonlinear optics. J. Mol. Model. 2022. 29(1): 1. https://doi.org/10.1007/s00894-022-05384-5

2. Kubba R. Application of quantum mechanical calculations and symmetry in chemistry; vibration frequencies, corrosion inhibition. (B P International, 2021). https://doi.org/10.9734/bpi/mono/978-93-91882-61-7

3. Reich S., Thomsen C., Maultzsch J. Carbon nanotubes: basic concepts and physical properties. (John Wiley & Sons: New Jersey, 2008).

4. Ghosh S.K., Chattaraj P.K. Concepts and methods in modern theoretical chemistry: statistical mechanics. (Florida: Taylor & Francis Group, 2019).

5. Malic E., Knorr A. Graphene and carbon nanotubes: ultrafast optics and relaxation dynamics. (Willey-VCH: Berlin, 2013). https://doi.org/10.1002/9783527658749

6. Rai P., Shukla V.K. Carbon material-based nanoscale optics and plasmonics. (Singapore: Springer, 2024). https://doi.org/10.1007/978-981-99-7145-9_11

7. 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. https://doi.org/10.1103/PhysRevLett.106.097401

8. Nakagawa Y., Yu B., Niidome Y., Hayashi K., Staykov A., Yamada M., Nakashima T., Kawai T., Fujigaya T., Shiraki T. Photoisomerization of covalently attached diarylethene on locally functionalized single-walled carbon nanotubes for photoinduced wavelength switching of near-infrared photoluminescence. J. Phys. Chem. C. 2022. 126(25): 10478. https://doi.org/10.1021/acs.jpcc.2c02977

9. Yang M., Ye Z., Sun C. -H., Zhu L., Hajizadegan M., Chen P. -Y. A lightweight, zero-power intermodulation sensor based on the graphene oscillator. IEEE Sens. J. 2023. 23(3) 3243. https://doi.org/10.1109/JSEN.2022.3227891

10. Koyama T., Sugiura J., Koishi T., Ohashi R., Asaka K., Saito, T., Gao Y., Okada S., Kishida H. Excitation energy transfer by electron exchange via two-step electron transfer between a single-walled carbon nanotube and encapsulated magnesium porphyrin. J. Phys. Chem. C. 2020. 124(35): 19406. https://doi.org/10.1021/acs.jpcc.0c06766

11. Roquelet C., Garrot D., Lauret J.S., Voisin C., Alain-Rizzo V., Roussignol P., Delaire J.A., Deleporte E. Quantum efficiency of energy transfer in noncovalent carbon nanotube/porphyrin compounds. Appl. Phys. Lett. 2010. 9: 141918. https://doi.org/10.1063/1.3496470

12. Ernst F., Heek T., Setaro A., Haag R., Reich S. Energy transfer in nanotube-perylene complexes. Adv. Funct. Mater. 2012. 22(18): 3921. https://doi.org/10.1002/adfm.201200784

13. Gaudreau L., Tielrooij K.J., Prawiroatmodjo G.E., Osmond J., de Abajo F.J.G., Koppens F.H. Universal distance-scaling of nonradiative energy transfer to graphene. Nano Lett. 2013. 13(5): 2030. https://doi.org/10.1021/nl400176b

14. Forster T. Zwischenmolekulare energiewanderung und fluoreszenz. Ann. Phys. 1948. 437(1-2): 55. https://doi.org/10.1002/andp.19484370105

15. Dexter D.L. A Theory of sensitized luminescence in solids. J. Chem. Phys. 1953. 21(5): 836. https://doi.org/10.1063/1.1699044

16. Malic E, Appel H., Hoffman O.T., Rubio A. Forster-induced energy transfer in functionalized graphene. J. Chem. Phys. 2014. 118(17): 9283. https://doi.org/10.1021/jp5019636

17. Swathi R.S., Sebastian K.L. Distance dependence of fluorescence energy transfer. J. Chem. Sci. 2009. 121: 777. https://doi.org/10.1007/s12039-009-0092-x

18. Swathi R.S., Sebastian K.L. Excitation energy transfer from dye molecule to doped graphene. J. Chem. Sci. 2012. 124: 233. https://doi.org/10.1007/s12039-012-0221-9

19. Swathi R.S., Sebastian K.L. Resonance energy transfer from a dye molecule to graphene has (distance)-4 dependence. J. Chem. Phys. 2009. 139: 086101. https://doi.org/10.1063/1.3077292

20. Rathinavel S., Priyadharshini K., Panda D. A review on carbon nanotube: An overview of synthesis, properties, functionalization, characterization, and the application. Mater. Sci. Eng. B. 2021. 268: 115095. https://doi.org/10.1016/j.mseb.2021.115095

21. Ali M.A. Quantum Hall Effect on Dirac electrons in modulated graphene. (arXiv, 2023).

22. Murphy C.B., Zhang Y., Troxler T., Ferry V., Martin J.J., Jones (Jr) W.E. Probing Forster and Dexter energy-transfer mechanisms in fluorescent conjugated polymer chemosensors. J. Phys. Chem B. 2004. 108(5): 1537. https://doi.org/10.1021/jp0301406

23. Gradshteyn I.S., Ryzhik I.M. Table of integrals, series, and products. (Elsevier, 2014).

24. Orucu H., Acar N. Effects of substituent groups and solvent media on Pyrene in ground and excited states: A DFT and TDDFT study. Comput. Theor. Chem. 2015. 1056: 11. https://doi.org/10.1016/j.comptc.2015.01.001

25. Skorjanc T., Shetty D., Valant M. Covalent Organic polymers and frameworks for fluorescence-based sensors. ACS Sensors. 2021. 6(4): 1461. https://doi.org/10.1021/acssensors.1c00183

26. Ma Y., Zhi L. Functionalized graphene materials: definitions, classification, and reparation strategies. Acta Phys. -Chim. Sin. 2022. 38(1): 2101004. https://doi.org/10.3866/PKU.WHXB202101004




DOI: https://doi.org/10.15407/hftp15.03.328

Copyright (©) 2024 O. Yu. Semchuk, O. O. Havryliuk, A. A. Biliuk

Creative Commons License
This work is licensed under a Creative Commons Attribution 4.0 International License.