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Photoluminescence Emission Studies on a Lanthanum-Doped Lead Free Double Halide Perovskite, La:Cs2SnCl6
The Journal of Physical Chemistry Letters ( IF 4.8 ) Pub Date : 2023-05-24 , DOI: 10.1021/acs.jpclett.3c00522 Aadil Ahmad Bhat 1 , Shakeel Ahmad Khandy 2 , Atif Mossad Ali 3 , Radha Tomar 1
The Journal of Physical Chemistry Letters ( IF 4.8 ) Pub Date : 2023-05-24 , DOI: 10.1021/acs.jpclett.3c00522 Aadil Ahmad Bhat 1 , Shakeel Ahmad Khandy 2 , Atif Mossad Ali 3 , Radha Tomar 1
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Recent advances in bandgap engineering have increased the possibility of vacancy ordered double halide perovskites (VO-DHPs), Cs2SnX6 where X = Cl, Br, I with designable optoelectronic features. Doping with La3+ ions modulates the band gap from 3.8 to 2.7 eV, allowing a steady room temperature dual emission (PL) centered at 440 and 705 nm in Cs2SnCl6. Pristine Cs2SnCl6 and La:Cs2SnCl6 both have a crystalline cubic structure with a space symmetry of Fm3m. The cubic phase correlates well with the Rietveld refinement. SEM analysis confirms anisotropic development with huge micrometer-sized (>10 μm) truncated octahedral structures. DFT investigations show that the insertion of La3+ ions into the crystal lattice leads to the band splitting. The present study elaborates the experimental understanding of the dual PL emission properties of La:Cs2SnCl6 leaving a scope for detailed theoretical study on the origin of the complex electronic transitions involving f-orbital electrons.
中文翻译：
镧掺杂无铅双卤化物钙钛矿 La:Cs2SnCl6 的光致发光研究
带隙工程的最新进展增加了空位有序双卤化物钙钛矿 (VO-DHP)、Cs 2 SnX 6的可能性，其中 X = Cl、Br、I 具有可设计的光电特性。掺杂 La 3+离子可将带隙从 3.8 调节到 2.7 eV，从而在 Cs 2 SnCl 6中实现以 440 和 705 nm 为中心的稳定室温双发射 (PL) 。原始Cs 2 SnCl 6和La:Cs 2 SnCl 6均具有晶体立方结构，空间对称性为Fm 3 m. 立方相与 Rietveld 精修密切相关。SEM 分析证实了巨大的微米级 (>10 μm) 截断八面体结构的各向异性发展。DFT 研究表明，La 3+离子插入晶格会导致能带分裂。本研究阐述了对 La:Cs 2 SnCl 6双 PL 发射特性的实验理解，为涉及 f 轨道电子的复杂电子跃迁的起源提供了详细的理论研究范围。
更新日期：2023-05-24
中文翻译：
镧掺杂无铅双卤化物钙钛矿 La:Cs2SnCl6 的光致发光研究
带隙工程的最新进展增加了空位有序双卤化物钙钛矿 (VO-DHP)、Cs 2 SnX 6的可能性，其中 X = Cl、Br、I 具有可设计的光电特性。掺杂 La 3+离子可将带隙从 3.8 调节到 2.7 eV，从而在 Cs 2 SnCl 6中实现以 440 和 705 nm 为中心的稳定室温双发射 (PL) 。原始Cs 2 SnCl 6和La:Cs 2 SnCl 6均具有晶体立方结构，空间对称性为Fm 3 m. 立方相与 Rietveld 精修密切相关。SEM 分析证实了巨大的微米级 (>10 μm) 截断八面体结构的各向异性发展。DFT 研究表明，La 3+离子插入晶格会导致能带分裂。本研究阐述了对 La:Cs 2 SnCl 6双 PL 发射特性的实验理解，为涉及 f 轨道电子的复杂电子跃迁的起源提供了详细的理论研究范围。
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