Investigation of electronic and optical behavior of Ag-based novel double perovskite MA2AgBiCl6 for photovoltaic applications

Neelu Neelu, Nivedita Pandey, S. Chakrabarti
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Abstract

High-performance semiconductors for optoelectronic device applications based on hybrid perovskites have been extensively investigated by the research community. However, their degradability and toxicity problem is a serious challenge that should be addressed effectively. Nowadays, double perovskites have been introduced as a promising lead-free alternative which is a combination of two single perovskites in which lead is replaced by monovalent and trivalent cation. Herein, we have chemically prepared a promising, stable, and novel organic-inorganic hybrid lead-free methyl ammonium (MA) based double perovskite material MA2AgBiCl6 by one-pot hydrothermal method. Structural characterization using x-ray diffraction (XRD) experiment confirms the formation of the orthorhombic crystalline phase of MA2AgBiCl6. Further, the examination of the Ultra-violet (UV-vis) spectroscopy characterization of MA2AgBiCl6 affirms the excellent absorbance behavior with a direct and indirect bandgap of 3.58 eV and 2.8 eV respectively. To investigate the optical characteristics of MA2AgBiCl6, photoluminescence (PL) spectroscopy experiment was performed and it is found that the material is reflecting good photoluminescence nature having a sharp peak at 320 nm which occur due to the band to band transition and carrier recombination of phonons. Furthermore, we performed a scanning electron microscopy (SEM) experiment on synthesized material to see its surface properties and we have observed the uniform nanotubes like fine and dense structure. Also, the Fourier transform infrared (FTIR) spectroscopy measurement reflect the transmittance nature of the prepared material. This detailed investigation on novel double perovskite MA2AgBiCl6 opens a new window for the emerging category of halide-based double perovskites for their possible utility in photovoltaics.
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银基新型双钙钛矿MA2AgBiCl6光电性能研究
基于混合钙钛矿的光电子器件应用的高性能半导体已经被研究界广泛研究。然而,它们的可降解性和毒性问题是一个需要有效解决的严峻挑战。目前,双钙钛矿是一种很有前途的无铅替代品,它是两种单钙钛矿的组合,其中铅被一价和三价阳离子取代。本文采用一锅水热法制备了一种稳定的新型有机-无机杂化无铅甲基铵(MA)基双钙钛矿材料MA2AgBiCl6。x射线衍射(XRD)实验证实了MA2AgBiCl6形成了正交晶相。此外,对MA2AgBiCl6的紫外-可见光谱表征证实了其良好的吸光度行为,其直接带隙和间接带隙分别为3.58 eV和2.8 eV。为了研究MA2AgBiCl6的光学特性,进行了光致发光(PL)光谱实验,发现该材料具有良好的光致发光特性,在320 nm处由于声子的带间跃迁和载流子的复合而产生尖峰。此外,我们对合成材料进行了扫描电子显微镜(SEM)实验,观察其表面性能,我们观察到纳米管的均匀,如精细和致密的结构。傅里叶变换红外光谱(FTIR)测量也反映了所制备材料的透光性。对新型双钙钛矿MA2AgBiCl6的详细研究为新兴的卤化物基双钙钛矿在光伏领域的潜在应用打开了一扇新的窗口。
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