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Research Article

Physical mechanisms of contact-electrification induced photon emission spectroscopy from interfaces

Yang Nan1,2,§, Jiajia Shao1,2,§, Ding Li1,2, Xin Guo1,2, Morten Willatzen1,2( ), Zhong Lin Wang1,2,3( )
Beijing Institute of Nanoenergy and Nanosystems, Chinese Academy of Sciences, Beijing 101400, China
School of Nanoscience and Technology, University of Chinese Academy of Sciences, Beijing 100049, China
Georgia Institute of Technology, Atlanta, GA 30332, USA

§ Yang Nan and Jiajia Shao contributed equally to this work.

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Graphical Abstract

Physical process of contact electrification induced photon emission spectra is clarified through the method of time-dependent density functional theory (TDDFT), which does favor on understanding the structure and electronic interactions of a contacted interface.

Abstract

Photon emission during contact electrification (CE) has recently been observed, which is called as CE-induced interface photon emission spectroscopy (CEIIPES). Physical mechanisms of CEIIPES are essential for interpreting the structure and electronic interactions of a contacted interface. Using the methods of density functional theory (DFT) and time-dependent DFT (TDDFT), it is confirmed theoretically that the spectrum of emitted photons is contributed from electron transfer and transition during CE. Specifically, the excited electrons from higher energy state in one material may transfer to a lower energy state of another material followed by a transition; and/or some unstable excited electrons at a higher energy level of one material may transit to a lower energy state of itself, both of which result in CEIIPES. Furthermore, the CE-induced interface absorption spectrum (CEIIAS) has been demonstrated, due to the intermolecular electron transfer excitation.

Keywords

spectroscopycontact electrification (CE)time-dependent density functional theory (TDDFT)CE-induced interface photon emission spectroscopy (CEIIPES)CE-induced interface absorption spectrum (CEIIAS)polymers

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References

[1]
Herzberg, G. Molecular Spectra and Molecular Structure; D. van Nostrand: Princeton, 1945.
[2]

Morton, R. A. Spectroscopy as a biochemical tool. Nature 1962, 193, 314–318.
Crossref Google Scholar
[3]

Day, D. E. Determining the Co-ordination number of aluminium ions by X-ray emission spectroscopy. Nature 1963, 200, 649–651.
Crossref Google Scholar
[4]

Hachtel, J. A.; Huang, J. S.; Popovs, I.; Jansone-Popova, S.; Keum, J. K.; Jakowski, J.; Lovejoy, T. C.; Dellby, N.; Krivanek, O. L.; Idrobo, J. C. Identification of site-specific isotopic labels by vibrational spectroscopy in the electron microscope. Science 2019, 363, 525–528.
Crossref Google Scholar
[5]

Barone, V.; Alessandrini, S.; Biczysko, M.; Cheeseman, J. R.; Clary, D. C.; McCoy, A. B.; DiRisio, R. J.; Neese, F.; Melosso, M.; Puzzarini, C. Computational molecular spectroscopy. Nat. Rev. Methods Primers 2021, 1, 38.
Crossref Google Scholar
[6]

Bohr, N. XXXVII. On the constitution of atoms and molecules. London Edinburgh Dublin Philos. Mag. J. Sci. 1913, 26, 476–502.
Crossref Google Scholar
[7]

Stefánsson, A.; Gunnarsson, I.; Giroud, N. New methods for the direct determination of dissolved inorganic, organic, and total carbon in natural waters by reagent-freeTM ion chromatography and inductively coupled plasma atomic emission spectrometry. Anal. Chim. Acta 2007, 582, 69–74.
Crossref Google Scholar
[8]

Mermet, J. M. Is it still possible, necessary, and beneficial to perform research in ICP-atomic emission spectrometry. J. Anal. At. Spectrom. 2005, 20, 11–16.
Crossref Google Scholar
[9]

Li, D.; Xu, C.; Liao, Y. J.; Cai, W. Z.; Zhu, Y. Q.; Wang, Z. L. Interface inter-atomic electron-transition induced photon emission in contact-electrification. Sci. Adv. 2021, 7, eabj0349.
Crossref Google Scholar
[10]

Wang, W. X.; Wang, Z. B.; Zhang, J. C.; Zhou, J. Y.; Dong, W. B.; Wang, Y. H. Contact electrification induced mechanoluminescence. Nano Energy 2022, 94, 106920.
Crossref Google Scholar
[11]

Xie, Y. J.; Li, Z. Triboluminescence: Recalling interest and new aspects. Chem 2018, 4, 943–971.
Crossref Google Scholar
[12]

Potashnik, R.; Goldschmidt, C. R.; Ottolenghi, M.; Weller, A. Absorption spectra of exciplexes. J. Chem. Phys. 1971, 55, 5344–5348.
Crossref Google Scholar
[13]

Nam, K. H. Molecular dynamics-from small molecules to macromolecules. Int. J. Mol. Sci. 2021, 22, 3761.
Crossref Google Scholar
[14]

Farr, E. P.; Quintana, J. C.; Reynoso, V.; Ruberry, J. D.; Shin, W. R.; Swartz, K. R. Introduction to time-resolved spectroscopy: Nanosecond transient absorption and time-resolved fluorescence of eosin B. J. Chem. Educ. 2018, 95, 864–871.
Crossref Google Scholar
[15]

Louie, S. G.; Chan, Y. H.; da Jornada, F. H.; Li, Z. L.; Qiu, D. Y. Discovering and understanding materials through computation. Nat. Mater. 2021, 20, 728–735.
Crossref Google Scholar
[16]

Fish, J.; Wagner, G. J.; Keten, S. Mesoscopic and multiscale modelling in materials. Nat. Mater. 2021, 20, 774–786.
Crossref Google Scholar
[17]

Marzari, N.; Ferretti, A.; Wolverton, C. Electronic-structure methods for materials design. Nat. Mater. 2021, 20, 736–749.
Crossref Google Scholar
[18]

Adamo, C.; Jacquemin, D. The calculations of excited-state properties with time-dependent density functional theory. Chem. Soc. Rev. 2013, 42, 845–856.
Crossref Google Scholar
[19]

Petersilka, M.; Gossmann, U. J.; Gross, E. K. U. Excitation energies from time-dependent density-functional theory. Phys. Rev. Lett. 1996, 76, 1212–1215.
Crossref Google Scholar
[20]

Runge, E.; Gross, E. K. U. Density-functional theory for time-dependent systems. Phys. Rev. Lett. 1984, 52, 997–1000.
Crossref Google Scholar
[21]

Sun, M. Z.; Lu, Q. Y.; Wang, Z. L.; Huang, B. L. Understanding contact electrification at liquid–solid interfaces from surface electronic structure. Nat. Commun. 2021, 12, 1752.
Crossref Google Scholar
[22]

Nan, Y.; Shao, J. J.; Willatzen, M.; Wang, Z. L. Understanding contact electrification at water/polymer interface. Research 2022, 2022, 9861463.
Crossref Google Scholar
[23]

Xiang, Y. P.; Li, P.; Gong, S. L.; Huang, Y. H.; Wang, C. Y.; Zhong, C.; Zeng, W. X.; Chen, Z. X.; Lee, W. K.; Yin, X. J. et al. Acceptor plane expansion enhances horizontal orientation of thermally activated delayed fluorescence emitters. Sci. Adv. 2020, 6, eaba7855.
Crossref Google Scholar
[24]

Tang, X.; Cui, L. S.; Li, H. C.; Gillett, A. J.; Auras, F.; Qu, Y. K.; Zhong, C.; Jones, S. T. E.; Jiang, Z. Q.; Friend, R. H. et al. Highly efficient luminescence from space-confined charge-transfer emitters. Nat. Mater. 2020, 19, 1332–1338.
Crossref Google Scholar
[25]

Sun, L. L.; Lin, S. Q.; Tang, W.; Chen, X.; Wang, Z. L. Effect of redox atmosphere on contact electrification of polymers. ACS Nano 2020, 14, 17354–17364.
Crossref Google Scholar
[26]

Wu, J.; Wang, X. L.; Li, H. Q.; Wang, F.; Yang, W. X.; Hu, Y. Q. Insights into the mechanism of metal-polymer contact electrification for triboelectric nanogenerator via first-principles investigations. Nano Energy 2018, 48, 607–616.
Crossref Google Scholar
[27]

Pan, Q. Y.; Abdellah, M.; Cao, Y. H.; Lin, W. H.; Liu, Y.; Meng, J.; Zhou, Q.; Zhao, Q.; Yan, X. M.; Li, Z. L. et al. Ultrafast charge transfer dynamics in 2D covalent organic frameworks/Re-complex hybrid photocatalyst. Nat. Commun. 2022, 13, 845.
Crossref Google Scholar
[28]

Cui, L. S.; Gillett, A. J.; Zhang, S. F.; Ye, H.; Liu, Y.; Chen, X. K.; Lin, Z. S.; Evans, E. W.; Myers, W. K.; Ronson, T. K. et al. Fast spin-flip enables efficient and stable organic electroluminescence from charge-transfer states. Nat. Photonics 2020, 14, 636–642.
Crossref Google Scholar
[29]

Baytekin, H. T.; Patashinski, A. Z.; Branicki, M.; Baytekin, B.; Soh, S.; Grzybowski, B. A. The mosaic of surface charge in contact electrification. Science 2011, 333, 308–312.
Crossref Google Scholar
[30]

Zou, H. Y.; Zhang, Y.; Guo, L. T.; Wang, P. H.; He, X.; Dai, G. Z.; Zheng, H. W.; Chen, C. Y.; Wang, A. C.; Xu, C. et al. Quantifying the triboelectric series. Nat. Commun. 2019, 10, 1427.
Crossref Google Scholar
[31]

Lin, S. Q.; Xu, C.; Xu, L.; Wang, Z. L. The overlapped electron-cloud model for electron transfer in contact electrification. Adv. Funct. Mater. 2020, 30, 1909724.
Crossref Google Scholar
[32]

Xu, C.; Zi, Y. L.; Wang, A. C.; Zou, H. Y.; Dai, Y. J.; He, X.; Wang, P. H.; Wang, Y. C.; Feng, P. Z.; Li, D. W. et al. On the electron-transfer mechanism in the contact-electrification effect. Adv. Mater. 2018, 30, 1706790.
Crossref Google Scholar
[33]

Wang, Z. L. Triboelectric nanogenerator (TENG)-sparking an energy and sensor revolution. Adv. Energy Mater. 2020, 10, 2000137.
Crossref Google Scholar
[34]

Wang, Z. L.; Wang, A. C. On the origin of contact-electrification. Mater. Today 2019, 30, 34–51.
Crossref Google Scholar
[35]

Yoshida, M.; Ii, N.; Shimosaka, A.; Shirakawa, Y.; Hidaka, J. Experimental and theoretical approaches to charging behavior of polymer particles. Chem. Eng. Sci. 2006, 61, 2239–2248.
Crossref Google Scholar
[36]

Shirakawa, Y.; Ii, N.; Yoshida, M.; Takashima, R.; Shimosaka, A.; Hidaka, J. Quantum chemical calculation of electron transfer at metal/polymer interfaces. Adv. Powder Technol. 2010, 21, 500–505.
Crossref Google Scholar
[37]

Liu, C. Y.; Bard, A. J. Electrons on dielectrics and contact electrification. Chem. Phys. Lett. 2009, 480, 145–156.
Crossref Google Scholar
[38]

Pan, S. H.; Zhang, Z. N. Triboelectric effect: A new perspective on electron transfer process. J. Appl. Phys. 2017, 122, 144302.
Crossref Google Scholar
[39]

McCarty, L. S.; Whitesides, G. M. Electrostatic charging due to separation of ions at interfaces: Contact electrification of ionic electrets. Angew. Chem., Int. Ed. 2008, 47, 2188–2207.
Crossref Google Scholar
[40]

McCarty, L. S.; Winkleman, A.; Whitesides, G. M. Ionic electrets: Electrostatic charging of surfaces by transferring mobile ions upon contact. J. Am. Chem. Soc. 2007, 129, 4075–4088.
Crossref Google Scholar
[41]

Lowell, J. The role of material transfer in contact electrification. J. Phys. D Appl. Phys. 1977, 10, L233–L235.
Crossref Google Scholar
[42]

Baytekin, H. T.; Baytekin, B.; Incorvati, J. T.; Grzybowski, B. A. Material transfer and polarity reversal in contact charging. Angew. Chem., Int. Ed. 2012, 51, 4843–4847.
Crossref Google Scholar
[43]

Liu, Z. Y.; Wang, X.; Lu, T.; Yuan, A. H.; Yan, X. F. Potential optical molecular switch: Lithium@cyclo[18]carbon complex transforming between two stable configurations. Carbon 2022, 187, 78–85.
Crossref Google Scholar
[44]

Jacquemin, D.; Planchat, A.; Adamo, C.; Mennucci, B. TD-DFT assessment of functionals for optical 0–0 transitions in solvated dyes. J. Chem. Theory Comput. 2012, 8, 2359–2372.
Crossref Google Scholar
[45]

Liu, Z. Y.; Lu, T.; Chen, Q. X. An sp-hybridized all-carboatomic ring, cyclo[18]carbon: Electronic structure, electronic spectrum, and optical nonlinearity. Carbon 2020, 165, 461–467.
Crossref Google Scholar
[46]

Weigend, F.; Ahlrichs, R. Balanced basis sets of split valence, triple zeta valence, and quadruple zeta valence quality for H to Rn: Design and assessment of accuracy. Phys. Chem. Chem. Phys. 2005, 7, 3297–3305.
Crossref Google Scholar
[47]

Lu, T.; Chen, F. W. Multiwfn: A multifunctional wavefunction analyzer. J. Comput. Chem. 2012, 33, 580–592.
Crossref Google Scholar
[48]

Lu, T.; Chen, F. W. Atomic dipole moment corrected Hirshfeld population method. J. Theor. Comput. Chem. 2012, 11, 163–183.
Crossref Google Scholar
Nano Research
Volume 16 Issue 9,
September 2023
Pages 11545-11555
DOI: 10.1007/s12274-023-5674-2
Cite this article:
Nan Y, Shao J, Li D, et al. Physical mechanisms of contact-electrification induced photon emission spectroscopy from interfaces. Nano Research, 2023, 16(9): 11545-11555. https://doi.org/10.1007/s12274-023-5674-2
Topics:
Electron transitions
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Nineth Nano Research Award

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Received: 04 February 2023
Revised: 09 March 2023
Accepted: 16 March 2023
Published: 20 April 2023
© Tsinghua University Press 2023
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