Polaron optical absorption effect in perovskite quantum dot materials

FENG Shuang; MA Haonan; BAI Jing; MA Xinjun; SUN Yong

doi:10.7498/aps.74.20250105

Abstract

Perovskite quantum dots, as an emerging class of nanomaterial, have demonstrated significant potential applications in the field of optoelectronic energy conversion due to their unique optoelectronic properties. In particular, polarons play a crucial role in the optical and optoelectronic performance of perovskite quantum dots. Polaron formation, which involves the coupling of electrons with lattice phonons, can induce charge shielding effect and localization effect, thereby protecting charge carriers from scattering and recombining. This leads to longer carrier lifetimes and diffusion lengths, thereby enhancing the efficiency of optoelectronic energy conversion. In this study, a polaronic light absorption model is established using unitary transformation and the Larsen method, revealing the dependence of polaronic transition optical absorption on the electron-phonon coupling constant and effective mass in perovskite quantum dots. The results indicate that the vibration frequency, excited-state energy of polarons, and the transition spectral line frequency are closely related to the electron-phonon coupling strength and effective mass. Specifically, as the electron-phonon coupling constant increases, the vibration frequency and excited-state energy of polarons decrease, while the transition spectral line frequency increases. This finding not only elucidates the physical mechanism of polaronic optical absorption but also provides new insights and methods for optimizing the performance of perovskite quantum dot materials. Moreover, this research expands the application scope of perovskite quantum dots in fields such as photodetectors, light-emitting diodes (LEDs), and solar cells. For instance, in LEDs, the high photoluminescence quantum yield and tunable bandgap of perovskite quantum dots make them ideal luminescent materials. In solar cells, their excellent optoelectronic conversion efficiency and carrier transport properties can significantly enhance device performance. By further optimizing polaron-related characteristics, it is expected that the performance of perovskite quantum dots in these applications can be further improved.

Keywords:

Authors and contacts

College of Physics and Electronic Information, Inner Mongolia University for Nationalities, Tongliao 028000, China

Corresponding author: SUN Yong, sy19851009@126.com

Funds: Project supported by the National Natural Science Foundation of China (Grant No. 12164032), the Natural Science Foundation of Inner Mongolia Autonomous Region of China (Grant No. 2022MS01014), the Doctoral Research Start-up Fund of Inner Mongolia University for Nationalities, China (Grant No. BS625), the Doctoral Research Start-up Fund Inner Mongolia University for Nationalities, China (Grant No. BS531), and the Basic Scientific Research Business Fee Project of Universities Directly Under Inner Mongolia Autonomous Region of China (Grant Nos. GXKY23Z029, GXKY23Z030).

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References

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图 1 钙钛矿量子点极化子光吸收示意图

Figure 1. Schematic diagram of perovskite quantum dot polaron optical absorption.

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图 2 钙钛矿材料光吸收系数

Figure 2. Absorption optical coefficient of perovskite materials

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图 3 极化子由基态能级跃迁到第一个朗道能级的吸收系数

Figure 3. Absorption coefficient of the polaron transition from the ground state level to the first Landau level.

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图 4 极化子吸收一个光子由基态能级跃迁到一个声子能级的吸收系数

Figure 4. Absorption coefficient of a photon transitioning from the ground state energy level to a phonon energy level.

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表 1 钙钛矿各晶体的参数

Table 1. Parameters of each perovskite crystal.

参数 MAPbCl₃ MAPbBr₃ MAPbI₃

耦合常数α 2.17 1.69 1.72
有效质量m^* 0.2m₀ 0.117m₀ 0.104m₀

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[1]	Attfield J P, Lightfoot P, Morris R E 2015 Dalton Trans. 44 10541 Google Scholar
[2]	Bai Y, Hao M M, Ding S S, Chen P, Wang L Z 2022 Adv. Mater. 34 2105958 Google Scholar
[3]	Park A, Goudarzi A, Yaghmaie P, Thomas V J, Maine E 2022 Nat. Nanotechnol. 17 802 Google Scholar
[4]	Dong X, Shen Y, Wang F M, He Z M, Zhao Y Z, Miao Z C, Wu Z B 2025 Small 21 2412809 Google Scholar
[5]	Shi Y, Berry J J, Zhang F 2024 ACS Energy Lett. 9 1305 Google Scholar
[6]	Yang W Q, Su R, Luo D Y, Hu Q, Zhang F, Xu Z J, Wang Z P, Tang J L, Lv Z, Yang X Y, Tu Y G, Zhang W, Zhong H Z, Gong Q H, Russell T P, Zhu R 2020 Nano Energy 67 104189 Google Scholar
[7]	Liu L, Najar A, Wang K, Du M, Liu S (Frank) 2022 Adv. Sci. 9 2104577 Google Scholar
[8]	Akin S, Altintas Y, Mutlugun E, Sonmezoglu S 2019 Nano Energy 60 557 Google Scholar
[9]	Chen J X, Jia D L, Johansson E M J, Hagfeldt A, Zhang X L 2018 Energy Environ. Sci. 11 772 Google Scholar
[10]	Wang Y, Duan C H, Zhang X L, Sun J G, Ling X F, Shi J W, Hu L, Zhou Z Z, Wu X X, Han W, Liu X F, Cazorla C, Chu D W, Huang S J, Wu T, Yuan J Y, Ma W L 2022 Adv. Funct. Mater. 32 2108615 Google Scholar
[11]	Wang J, Gao S, Duan X M, Yin W J 2024 Acta Phys. Sin. 73 063101 (in Chiness) [王静, 高姗, 段香梅, 尹万健 2024 73 063101]Google Scholar Wang J, Gao S, Duan X M, Yin W J 2024 Acta Phys. Sin. 73 063101 (in Chiness)Google Scholar
[12]	Hao M M, Ding S S, Gaznaghi S, Cheng H Y, Wang L Z 2024 ACS Energy Lett. 9 308 Google Scholar
[13]	Wang H C, Bao Z, Tsai H Y, Tang A C, Liu R S 2018 Small 14 1702433 Google Scholar
[14]	Yang J N, Chen T, Ge J, Wang J J, Yin Y C, Lan Y F, Ru X C, Ma Z Y, Zhang Q, Yao H B 2021 J. Am. Chem. Soc. 143 19928 Google Scholar
[15]	Liu Y, Dong Y, Zhu T, Ma D, Proppe A, Chen B, Zheng C, Hou Y, Lee S, Sun B, Jung E H, Yuan F, Wang Y K, Sagar L K, Hoogland S, García De Arquer F P, Choi M J, Singh K, Kelley S O, Voznyy O, Lu Z H, Sargent E H 2021 J. Am. Chem. Soc. 143 15606 Google Scholar
[16]	He H Y, Mei S L, Wen Z Q, Yang D, Yang B B, Zhang W L, Xie F X, Xing G C, Guo R Q 2022 Small 18 2103527 Google Scholar
[17]	Le Q V, Hong K, Jang H W, Kim S Y 2018 Adv. Electron. Mater. 4 1800335 Google Scholar
[18]	Cardenas-Morcoso D, Gualdrón-Reyes A F, Ferreira Vitoreti A B, García-Tecedor M, Yoon S J, Solis De La Fuente M, Mora-Seró I, Gimenez S 2019 J. Phys. Chem. Lett. 10 630 Google Scholar
[19]	Xiao Z J, Li J L, Mai X Y, Yang J L, Zhu M S 2024 Catal. Sci. Technol. 14 4432 Google Scholar
[20]	Geng X S, Wang F W, Tian H, Feng Q X, Zhang H N, Liang R R, Shen Y, Ju Z Y, Gou G Y, Deng N Q, Li Y T, Ren J, Xie D, Yang Y, Ren T L 2020 ACS Nano 14 2860 Google Scholar
[21]	Zhang Y H, Wu G H, Liu F, Ding C, Zou Z G, Shen Q 2020 Chem. Soc. Rev. 49 49 Google Scholar
[22]	Wang S, Zhao Q, Hazarika A, Li S M, Wu Y, Zhai Y X, Chen X H, Luther J M, Li G R 2023 Nat. Commun. 14 2216 Google Scholar
[23]	Kim Y, Yassitepe E, Voznyy O, Comin R, Walters G, Gong X, Kanjanaboos P, Nogueira A F, Sargent E H 2015 ACS Appl. Mater. Interfaces 7 25007 Google Scholar
[24]	Chen J, Du W N, Shi J W, Li M L, Wang Y, Zhang Q, Liu X F 2020 InfoMat 2 170 Google Scholar
[25]	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 2017 ACS Nano 11 10373 Google Scholar
[26]	Bujalance C, Caliò L, Dirin D N, Tiede D O, Galisteo-López J F, Feist J, García-Vidal F J, Kovalenko M V, Míguez H 2024 ACS Nano 18 4922 Google Scholar
[27]	尹博钊, 黄雄健, 董国平 2023 发光学报 44 437 Yin B Z, Huang X J, Dong G P 2023 J. Luminescence 44 437
[28]	高雯欢, 丁济可, 马全兴, 苏郁清, 宋宏伟, 陈聪 2024 化学进展 36 187 Google Scholar Gao W H, Ding J K, Ma Q X, Su Y Q, Song H W, Chen C 2024 Prog. Chem. 36 187 Google Scholar
[29]	Liang J H, Chen D, Yao X, Zhang K X, Qu F L, Qin L S, Huang Y X, Li J H 2020 Small 16 1903398 Google Scholar
[30]	乐亚坤, 黄雄健, 董国平 2024 硅酸盐学报 52 2659 Google Scholar Le Y K, Huang X J, Dong G P 2024 J. Chin. Ceramic So. 52 2659 Google Scholar
[31]	Wang Y, Zha Y, Yang Y, Liu C, Di Y, Cao G, Wei S, Chen Z, Gan Z 2023 Sci. China Technol. Sci. 66 2735 Google Scholar
[32]	曾平君, 金旭东, 彭钰博, 赵敏, 高志鹏, 李晓娜, 冀健龙, 陈维毅 2023 生物医学工程学杂志 40 11045 Google Scholar Zeng P J, Jin X D, Peng Y B, Zhao M, Gao Z P, Li X N, Ji J L, Chen W Y 2023 J. Biomed. Eng. 40 11045 Google Scholar
[33]	武虹乐, 郭锐, 迟涵文, 唐永和, 宋思睿, 葛恩香, 林伟英 2023 化学学报 81 905 Google Scholar Wu H L, Guo R, Chi H W, Tang Y H, Song S R, Ge E X, Lin W Y 2023 Acta. Chim. Sin. 81 905 Google Scholar
[34]	郑加金, 王雅如, 余柯涵, 徐翔星, 盛雪曦, 胡二涛, 韦玮 2018 67 118502 Google Scholar Zheng J J, Wang Y R, Yu K H, Xu X X, Sheng X X, Hu E T, Wei W 2018 Acta. Phys. Sin. 67 118502 Google Scholar

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