Study on the influence of component and concentration of CsPbBrxI3-x all-inorganic perovskite quantum dots on electronic structure and fluorescence properties

doi:10.6023/A24030066

Abstract

All-inorganic cesium lead halide perovskite materials have broad application prospects in the field of optoelectronics due to their excellent performance. This article investigates the influence of component and concentration on the electronic structure and fluorescence properties for the CsPbBr_xI_3-x (x=3,2,1,0) all-inorganic perovskite quantum dots using the first-principles calculations and steady-state and transient fluorescence spectroscopy experiments. The band structure and density of states of material CsPbBr_xI_3-x are calculated to find that the bandgap types of the perovskites are all direct bandgaps. As I atoms are continuously replaced, resulting in a narrowing of the bandgap. This indicates that increasing the I content can achieve band control of quantum dots.Through steady-state luminescence and picosecond time-resolved photon counting experiments on CsPbBr₃and CsPbBr₂I all-inorganic perovskite quantum dots, it is found that with the increase of quantum dot concentration, the emission spectrum is red-shifted, the photoluminescence intensity first increases and then decreases, and the fluorescence radiation lifetime increased. These phenomena are mainly caused by the quantum confinement effect and self-absorption effect of quantum dots. As the concentration of quantum dots increases, the size of quantum dots increases due to agglomeration effects, resulting in a red shift in the emission spectrum. When the concentration of quantum dots reaches a certain level, the absorbance of quantum dots gradually saturates, and the self-absorption effect will cause the emission of fluorescence to be absorbed, increasing and then a decrease in fluorescence emission intensity. As the concentration of perovskite quantum dots increases, the quantum confinement effect leads to the aggregation and size of quantum dots, thereby increasing their fluorescence radiation lifetime.With increasing I content, the quantum dot trapping states lead to distort the crystal structure, and thus the fluorescence lifetime becomes shorter. These results suggest that the exciton recombination process can be controlled by regulating concentration and halogen components.

Key words: All-inorganic Perovskite, Electric Structure, Photoluminescence, Radiative Lifetime, Halogen component, Size Dependence

Cite this article

Peng Yajing, Zhao Yuxin, Yang Jinhui, Zhang Xinxin, Cheng Jialing. Study on the influence of component and concentration of CsPbBr_xI_3-x all-inorganic perovskite quantum dots on electronic structure and fluorescence properties[J]. Acta Chimica Sinica, doi: 10.6023/A24030066.

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References

[1] Manser J. S.; Christians J. A.; Kamat P. V.Chem. Rev. 2016, 116 , 12956-13008.
[2] Zhang Y. P.; Liu J. Y.; Wang, Z. Y .; Xue Y. Z.; Ou Q. D.; Polavarapu L.; Zheng J. L.; Qi X.; Bao Q. L.Chemical Communications , 2016, 52 , 13637-13655.
[3] Chen W. W.; Xin X.; Zang Z. G.; Tang X. S.; Li C. L.; Hu W.; Zhou M.; Du, J. Journal of Solid State Chemistry,2017, 255, 115-120.
[4] Liu F.; Zhang Y. H.; Ding C.; Kobayashi S.; Izuishi, T; Nakazawa N.; Toyoda T.; Ohta T.; Hayase S.; Minemoto T.; Yoshino K.; Dai S. Y.; Shen Q.Acs. Nano. 2017, 11 , 10373-10383.
[5] Liu,M.; Johnston M. B.; Snaith H. J. Nature,2013, 501 , 395-398.
[6] Jeon N. J.; Noh J. H.; Yang W. S.; Kim Y. C.; Ryu S.; Seo J.; Seok S. I. Nature,2015, 517 , 476-80.
[7] Zhang, L.; Lin, S. Solar Energy Materials and Solar Cells, 2020, 204, 110237.
[8] Wang J.; Wang N.; Jin Y.; Si J.; Tan Z. K.; Du H.; Cheng L.; Dai X.; Bai S.; He H.; Ye Z.; Lai M. L.; Friend R. H.; Huang W. Adv. Mater.2015, 27, 2311-2316.
[9] Chen H.; Guo A.; Zhu J.; Cheng L.; Wang, Q. Applied Surface Science,2019, 465, 656-664.
[10] Xu Z.; Wang S.; Hu X.; Jiang J.;Wang L. Solar. Rrl.2018, 2, 1800204.
[11] Nikl M.; Nitsch K.; Polak K.; Pazzi G.; Fabeni P.; Citrin D.; Gurioli M. J. Lumin.1997, 72, 377-379.
[12] Liang J.; Wang C. X.; Wang Y. R.; Xu Z. R.; Lu Z. P.; Ma Y.; Zhu H. F.; Hu Y.; Xiao C. C.; Yi X.; Zhu G. Y.; Lv H. L.; Ma L. B.; Chen T.; Tie Z. X.; Jin Z.; Liu, J. Journal of the American Chemical Society,2016, 138, 15829-15832.
[13] Hu Z.; Lin Z.; Su J.; Zhang J.; Hao Y. Solar. Rrl.2019, 3, 1900304.
[14] Zhang H.; Jin, Z. Journal of Semiconductors,2021. 42, 4.
[15] Li M.; Zhang X.; Du Y. Y.; Yang, P. Journal of Luminescence,2017, 190, 397-402.
[16] Kang J.; Wang, L. W. Journal of Physical Chemistry Letters,2017, 8, 489-493.
[17] Koscher B. A.; Swabeck J. K.; Bronstein N. D.; Alivisatos, A. P. Journal of the American Chemical Society,2017, 139, 6566-6569.
[18] Akkerman Q. A.; D'Innocenzo V.; Accornero S.; Scarpellini A.; Petrozza A.; Prato M.; Manna, L. Journal of the American Chemical Society,2015, 137, 10276-10281.
[19] Parobek D.; Dong Y.; Qiao T.; Rossi D.; Son, D. H. Journal of the American Chemical Society,2017, 139, 4358-4361.
[20] Liu H.; Liu Z.; Xu W.; Yang L.; Liu Y.; Yao D.; Zhang D.; Zhang H.; Yang, B. ACS. Applied Materials & Interfaces,2019, 11, 14256-14265.
[21] Parobek D.; Roman B. J.; Dong Y. T.; Jin H.; Lee E.; Sheldon M.; Son, D. H. Nano. Letters,2016, 16, 7376-7380.
[22] Milstein T. J.; Kroupa D. M.; Gamelin, D. R. Nano. Letters,2018, 18, 3792-3799.
[23] Lee M. M.; Teuscher J.; Miyasaka T.; Murakami T. N.; Snaith H. J. Science,2012, 338, 643-647.
[24] Sun Q. D.; Yin, W. J. Journal of the American Chemical Society,2017, 139, 14905-14908.
[25] Divitini; Giorgio Nature Energy,2016, 1, 1-6.
[26] Protesescu L.; Nedelcu G.; Yakunin S.; Bodnarchuk M. I.; Grotevent M. J.; Kovalenko, M. V. Nano. Letters,2015, 15, 3692-3696.
[27] Choi H.; Jeong J.; Kim H. B.; Kim S.; Walker B.; Kim G. H.; Kim, J. Y. Nano. Energy,2014, 7, 80-85.
[28] Eperon G. E.; Paterno; Giuseppe; Maria; Sutton, R. J.; Andrea Z.; Amir H.; Franco C.; Henry, S. J. Mat. Chem. A,2015, 3, 19688-19695.
[29] Beal R. E.; Slotcavage D. J.; Leijtens T.; Bowring; Andrea R.; Belisle; Rebecaa A.; Nguyen; William H.; Burkhard; George; Hoke, E. T.; Mcgehee; Michae,l D. J. Phys. Chem. Lett.,2016, 7, 746-751.
[30] Zheng Y. F.; Yang X. Y.; Su, R. Adv. Funct. Mater.,2020, 30, 2000457.
[31] Jaramillo-Quintero O. A.; Sanchez R. S.; Rincon M.; Mora-Sero, I. J. Phys. Chem. Lett.,2015, 6, 1883-1890.
[32] Xu, Y,; Chen Q.; Zhang C.; Wang R.; Wu H.; Zhang X.; Xing G.; Yu W. W.; Wang X.; Zhang Y.; Xiao, M. J. Am. Chem. Soc.,2016, 138 , 3761-3768.
[33] Maleka P. M.; Dima R. S.; Ntwaeaborwa O. M.; Maphanga R. R.Physica Scripta, 2023, 98, 045505.
[34] Blöchl, P. E. Physical Review B.1994, 50, 17953.
[35] Perdew J. P.; Burke K.; Ernzerh, M. Phys. Rev. Lett.,1996, 77, 3865.
[36] Murtaza G.; Ahmad, I. Physica B Condensed Matter,2011, 406, 3222-3229.
[37] Woods-Robinson R.; Horton M. K.; Persson K. A. Patterns,2023, 4, 110237.
[38] Chen Y.; Shi T.; Liu P.; Xie W.; Chen K.; Xu X.; Wang, X. Journal of Materials Chemistry A,2019, 7, 20201-20207.
[39] Trots, D. M.; Myagkota, S. V. Journal of Physics and Chemistry of Solids, 2008, 69, 2520-2526.
[40] Maughan A. E.; Ganose A. M.; Scanlon D. O.;Almaker, M. A. Chemistry of Materials,2019, 31, 1184-1195.
[41] Maleka P. M.; Dima R. S.; Ntwaeaborwa O. M.; Maphanga, R. R. Physica Scripta,2023, 98, 045505.
[42] Eperon G. E.; Stranks S. D.; Menelaou C.; Johnston M. B.; Herz L. M.; Snaith, H. J. Energy Environ. Sci.2014, 7, 982-988.
[43] Rajeswarapalanichamy, R.; Amudhavalli, A.; Padmavathy, R.; Iyakutti, K. Materials Science and Engineering B, 2020, 258, 114-560.
[44] Xu S.; Libanori A.; Luo G.; Chen J. Iscience,2021, 24, 102235.
[45] Ahmad; Rehman G.; Alil; Shafiq M.; Iqbal R.; Ahmad R.; Khan T.; Jalali-Asadabadi S.; Maqbool M. Alloys. Compd.2017, 705, 828-839.
[46] Chen H.; Guo A.; Zhu J.; Cheng L.; Wang, Q. Applied Surface Science,2019, 465, 656-664.
[47] Zhang, L.; Lin, S. Solar Energy Materials and Solar Cells, 2020, 204,110237.
[48] Naghadeh S. B.; Luo B.; Pu Y. C.; Schwartz Z.; Hollingsworth W. R.; Lindley S. A.; Brewer A. S.; Ayzner A. L.; Zhang J. Z.2019 The Journal of Physical Chemistry C, 123 , 4610-4619.
[49] Zhong M.; Zhao Z.; Luo Y.; Zhou F.; Peng Y.; Yin Y.; Zhou W.; Tang D. RSC. Advances,2020, 10, 18368-18376.
[50] Qiao T.; Son, D. H. Accounts of Chemical Research,2021, 54, 1399-1408.
[51] Wang Y.; Yang Y.; Wang P.; Bai X. Optik,2017, 139, 56-60.
[52] Toci G.; Alderighi D.; Pirri A.; Vannini M.Appl. Phys. B, 2012, 106, 73-79.
[53] Zhou N.; Yuan M.; Gao Y.; Li D.; Yang D. ACS. Nano.2016, 10, 4154-4163.
[54] Kim D. W.; Hyun C.; Shin T. J.; Jeong U. ACS. Nano.2022, 16, 2521-2534.
[55] Haitao C. B.; Anqi G. A.; Jun Z. A.; Liwen C. A.; Qiang, W. Applied Surface Science,2019, 465, 656-664.
[56] Kim S.; Park K. D.; Lee H. Energies,2021, 14, 275.
[57] Seth S.; Mondal N.; Patra S.; Samanta, A, 2016, 7, 266-271.

CsPbBr_xI_3-x全无机钙钛矿量子点的组分及浓度对电子结构及荧光性质影响研究