Sn掺杂Cs2AgBiCl6纳米晶的制备及其光学性能研究
Preparation and Optical Properties of Sn-Doped Cs2AgBiCl6 Nanocrystals
DOI: 10.12677/MS.2022.124035, PDF,    国家自然科学基金支持
作者: 夏 悦, 戢 威, K. P. Homewood, 高 云*:湖北大学材料科学与工程学院,湖北 武汉
关键词: 双钙钛矿纳米晶Sn掺杂荧光Double Perovskite Nanocrystals Sn Doping Fluorescence
摘要: 无铅Cs2AgBiCl6双钙钛矿材料作为有毒铅卤钙钛矿光伏材料的替代品,具备环境友好,稳定性高等优势而备受关注。Cs2AgBiCl6材料具备间接带隙半导体特性,由于强载流子–声子耦合相互作用形成的本征自限,增大了载流子的非辐射复合,降低了辐射复合效率,从而限制了其光电领域的进一步应用。理论计算表明,Sn掺杂可以改变Cs2AgBiCl6双钙钛矿内部结构形成直接带隙,抑制非辐射复合。本工作采用热注入法制备Sn掺杂的Cs2AgBiCl6双钙钛矿纳米晶,采用XRD,TEM,XPS等研究材料的相结构、微观形貌及价键特征,并探究了其光吸收和荧光发光特性。研究表明,Sn原子可以有效掺杂进入Cs2AgBiCl6晶格结构,并显著提高其荧光量子效率。
Abstract: As the alternatives to toxic lead-halide perovskite photovoltaic materials, the lead-free Cs2AgBiCl6 double perovskites have recently attracted much attention due to their environmental friendliness and high stability. However, Cs2AgBiCl6 material is of intrinsic self-limitation due to its strong carrier-phonon coupling as an indirect bandgap semiconductor. The non-radiative recombination of carriers greatly reduces its radiative recombination efficiency and therefore limits its application in optoelectronics. The oretical calculation has indicated that Sn doping will give rise to changes in the internal structure of the Cs2AgBiCl6 double perovskite, resulting in the formation of direct band gap and thus reducing the non-radiative recombination. In this work, Sn-doped Cs2AgBiCl6 double perovskite nanocrystals were prepared by a thermal injection method, and the crystal structure, optical properties and valence structure were investigated by means of XRD, TEM and XPS, The experimental results show that Sn atoms are effectively doped in the structure of the lead- free perovskite nanocrystals, leading to a significant improvement in the fluorescence quantum yield.
文章引用:夏悦, 戢威, K. P.Homewood, 高云. Sn掺杂Cs2AgBiCl6纳米晶的制备及其光学性能研究[J]. 材料科学, 2022, 12(4): 341-351. https://doi.org/10.12677/MS.2022.124035

参考文献

[1] Møller, C.K. (1958) Crystal Structure and Photoconductivity of Cæsium Plumbohalides. Nature, 182, 1436.
[2] Weber, D. (1978) CH3NH3PbX3, ein Pb(II)-System mit kubischer Perowskitstruktur [CH3NH3PbX3, a Pb(II)-System with Cubic Perovskite Structure]. Zeitschrift für Naturforschung B, 33, 1443-1445. [Google Scholar] [CrossRef
[3] Onoda-Yamamuro, N., Matsuo, T. and Suga, H. (1992) Dielectric Study of CH3NH3PbX3 (X=Cl, Br, I). Journal of Physics and Chemistry of Solids, 53, 935-939. [Google Scholar] [CrossRef
[4] Hassan, Y., Ashton, O.J., Park, J.H., et al. (2019) Facile Synthesis of Stable and Highly Luminescent Methylammonium Lead Halide Nanocrystals for Efficient Light Emitting Devices. Journal of the American Chemical Society, 141, 1269- 1279. [Google Scholar] [CrossRef] [PubMed]
[5] Wu, L., Hu, H., Xu, Y., et al. (2017) From Nonluminescent Cs4PbX6 (X = Cl, Br, I) Nanocrystals to Highly Luminescent CsPbX3 Nanocrystals: Water-Triggered Transformation through a CsX-Stripping Mechanism. Nano Letters, 17, 5799-5804. [Google Scholar] [CrossRef] [PubMed]
[6] Chen, S.C., Wang, D. and Zheng, Q. (2020) Surface Passivation of All-Inorganic CsPbI2Br with a Fluorinated Organic Ammonium Salt for Perovskite Solar Cells with Efficiencies over 16%. Solar RRL, 4, Article ID: 2000321. [Google Scholar] [CrossRef
[7] He, J., Su, J., Lin, Z., et al. (2021) Enhanced Efficiency and Stability of All-Inorganic CsPbI2Br Perovskite Solar Cells by Organic and Ionic Mixed Passivation. Advanced Science, 8, Article ID: 2101367. [Google Scholar] [CrossRef] [PubMed]
[8] Zhang, P., Zhu, G., Shi, Y., et al. (2018) Ultrafast Interfacial Charge Transfer of Cesium Lead Halide Perovskite Films CsPbX3 (X=Cl, Br, I) with Different Halogen Mixing. The Journal of Physical Chemistry C, 122, 27148-27155. [Google Scholar] [CrossRef
[9] Wang, F., Zhang, H., Sun, Q., et al. (2020) Low-Temperature Solution Growth and Characterization of Halogen (Cl, I)-Doped CsPbBr3 Crystals. Crystal Growth & Design, 20, 1638-1645. [Google Scholar] [CrossRef
[10] Ma, X., Yang, W., Ge, X., et al. (2021) Design a Novel Multifunctional (CsPbBr3/Fe3O4)@MPSs@SiO2 Magneto- Optical Microspheres for Capturing Circulating Tumor Cells. Applied Surface Science, 551, Article ID: 149427. [Google Scholar] [CrossRef
[11] Zou, S., Liu, C., Li, R., et al. (2019) From Nonluminescent to Blue-Emitting Cs4PbBr6 Nanocrystals: Tailoring the Insulator Bandgap of 0D Perovskite through Sn Cation Doping. Advanced Materials, 31, Article ID: 1900606. [Google Scholar] [CrossRef] [PubMed]
[12] Liu, D., Liang, L. and Sa, R. (2021) First-Principles Calculations of Structural, Electronic, and Optical Properties of Double Perovskites Cs2Sn1-xBxI6 (B=Si, Ge; x=0, 0.25, 0.50, 0.75, 1). Chemical Physics, 542, Article ID: 111075. [Google Scholar] [CrossRef
[13] Liu, D., Peng, H., Li, Q., et al. (2022) A DFT Study of the Stability and Optoelectronic Properties of All-Inorganic Lead-Free Halide Perovskites. Journal of Physics and Chemistry of Solids, 161, Article ID: 110413. [Google Scholar] [CrossRef
[14] Swarnkar, A., Mir, W.J. and Nag, A. (2018) Can B-Site Doping or Alloying Improve Thermal- and Phase-Stability of All-Inorganic CsPbX3 (X=Cl, Br, I) Perovskites? ACS Energy Letters, 3, 286-289. [Google Scholar] [CrossRef
[15] Stoumpos, C.C., Malliakas, C.D. and Kanatzidis, M.G. (2013) Semiconducting Tin and Lead Iodide Perovskites with Organic Cations: Phase Transitions, High Mobilities, and Near-Infrared Photoluminescent Properties. Inorganic Chemistry, 52, 9019-9038. [Google Scholar] [CrossRef] [PubMed]
[16] Zhao, X.G., Yang, J.H., Fu, Y., et al. (2017) Design of Lead-Free Inorganic Halide Perovskites for Solar Cells via Cation- Transmutation. Journal of the American Chemical Society, 139, 2630-2638. [Google Scholar] [CrossRef] [PubMed]
[17] Slavney, A.H., Hu, T., Lindenberg, A.M., et al. (2016) A Bismuth-Halide Double Perovskite with Long Carrier Recombination Lifetime for Photovoltaic Applications. Journal of the American Chemical Society, 138, 2138-2141. [Google Scholar] [CrossRef] [PubMed]
[18] Filip, M.R., Hillman, S., Haghighirad, A.A., et al. (2016) Band Gaps of the Lead-Free Halide Double Perovskites Cs2BiAgCl6 and Cs2BiAgBr6 from Theory and Experiment. The Journal of Physical Chemistry Letters, 7, 2579-2585. [Google Scholar] [CrossRef] [PubMed]
[19] Kangsabanik, J., Sugathan, V., Yadav, A., et al. (2018) Double Perovskites Overtaking the Single Perovskites: A Set of New Solar Harvesting Materials with Much Higher Stability and Efficiency. Physical Review Materials, 2, Article ID: 055401. [Google Scholar] [CrossRef
[20] Slavney, A.H., Leppert, L., Bartesaghi, D., et al. (2017) Defect-Induced Band-Edge Reconstruction of a Bismuth- Halide Double Perovskite for Visible-Light Absorption. Journal of the American Chemical Society, 139, 5015-5018. [Google Scholar] [CrossRef] [PubMed]
[21] Du, K.Z., Meng, W., Wang, X., et al. (2017) Bandgap Engineering of Lead-Free Double Perovskite Cs2AgBiBr6 through Trivalent Metal Alloying. Angewandte Chemie International Edition, 56, 8158-8162. [Google Scholar] [CrossRef] [PubMed]
[22] Ma, X., Li, Z. and Yang, J. (2021) Efficient Direct Band Gap Photovoltaic Material Predicted via Doping Double Perovskites Cs2AgBiX6 (X=Cl, Br). The Journal of Physical Chemistry C, 125, 10868-10875. [Google Scholar] [CrossRef
[23] Hoefler, S.F., Trimmel, G. and Rath, T. (2017) Progress on Lead-Free Metal Halide Perovskites for Photovoltaic Applications: A Review. Monatshefte für Chemie, 148, 795-826. [Google Scholar] [CrossRef] [PubMed]
[24] Kieslich, G., Sun, S. and Cheetham, A.K. (2015) An Extended Tolerance Factor Approach for Organic-Inorganic Perovskites. Chemical Science, 6, 3430-3433. [Google Scholar] [CrossRef
[25] Sani, F., Shafie, S., Lim, H.N., et al. (2018) Advancement on Lead-Free Organic-Inorganic Halide Perovskite Solar Cells: A Review. Materials, 11, Article No. 1008. [Google Scholar] [CrossRef] [PubMed]
[26] Maughan, A.E., Ganose, A.M., Bordelon, M.M., et al. (2016) Defect Tolerance to Intolerance in the Vacancy-Ordered Double Perovskite Semiconductors Cs2SnI6 and Cs2TeI6. Journal of the American Chemical Society, 138, 8453-8464. [Google Scholar] [CrossRef] [PubMed]
[27] Das Adhikari, S., Masi, S., Echeverría-Arrondo, C., et al. (2021) Continuous-Flow Synthesis of Orange Emitting Sn(II)- Doped CsBr Materials. Advanced Optical Materials, 9, Article ID: 2101024. [Google Scholar] [CrossRef
[28] Creutz, S.E., Crites, E.N., De Siena, M.C., et al. (2018) Colloidal Nanocrystals of Lead-Free Double-Perovskite (Elpasolite) Semiconductors: Synthesis and Anion Exchange to Access New Materials. Nano Letters, 18, 1118-1123. [Google Scholar] [CrossRef] [PubMed]
[29] Zhang, X., Cao, W., Wang, W., et al. (2016) Efficient Light-Emitting Diodes Based on Green Perovskite Nanocrystals with Mixed-Metal Cations. Nano Energy, 30, 511-516. [Google Scholar] [CrossRef
[30] McClure, E.T., Ball, M.R., Windl, W., et al. (2016) Cs2AgBiX6 (X=Br, Cl): New Visible Light Absorbing, Lead-Free Halide Perovskite Semiconductors. Chemistry of Materials, 28, 1348-1354. [Google Scholar] [CrossRef
[31] Rajeev Kumar, N. and Radhakrishnan, R. (2018) Electronic, Optical and Mechanical Properties of Lead-Free Halide Double Perovskites Using First-Principles Density Functional Theory. Materials Letters, 227, 289-291. [Google Scholar] [CrossRef