Zhao Chunli, Gao Yuan, Song Tiantian, Wang Jing, Qiu Jianbei
Faculty of Material Science and Engineering, Kunming University of Science and Technology, Kunming 650093, China.
Key Laboratory of Advanced Materials of Yunnan Province, Kunming 650093, China.
J Phys Chem Lett. 2023 Oct 12;14(40):9011-9018. doi: 10.1021/acs.jpclett.3c02321. Epub 2023 Oct 2.
Lanthanide ions are widely used as dopants for halide perovskites for their broad energy level coverage from the visible to near-infrared (NIR) range. In this work, CsNaScCl:Er was synthesized by an improved solid-state reaction method, which showed effective NIR emission under ultraviolet excitation. Through calculations based on density functional theory and Bader charge analysis, it is shown that [ErCl] octahedra show a strong localization effect in the CsNaScCl:Er lattice, which is conducive to the charge transfer process of Cl-Er, and charge transfer sensitization is responsible for the efficient visible to NIR luminescence of Er, where the NIR emission around λ = 1540 nm originated from the Er:I → I transition with an ultrahigh photoluminescence quantum yield that reached ∼28.3%. Notably, CsNaScCl:Er also exhibited bright upconversion luminescence of green light (at 540 nm) under excitation by a variety of NIR laser diodes (808, 980, and 1550 nm) via self-sensitization processes.
镧系离子因其从可见光到近红外（NIR）范围的广泛能级覆盖而被广泛用作卤化物钙钛矿的掺杂剂。在这项工作中，通过改进的固态反应方法合成了CsNaScCl:Er，其在紫外激发下显示出有效的近红外发射。通过基于密度泛函理论和巴德电荷分析的计算表明，[ErCl]八面体在CsNaScCl:Er晶格中表现出强烈的局域化效应，这有利于Cl-Er的电荷转移过程，并且电荷转移敏化是Er从可见光到近红外高效发光的原因，其中λ = 1540 nm附近的近红外发射源于Er: I→I跃迁，光致发光量子产率高达约28.3%。值得注意的是，CsNaScCl:Er在各种近红外激光二极管（808、980和1550 nm）激发下，通过自敏化过程还表现出明亮的绿色上转换发光（540 nm）。
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