Significance of Ni Doping in CsPbX3 Nanocrystals via Postsynthesis Cation–Anion Coexchange,The Journal of Physical Chemistry C

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Significance of Ni Doping in CsPbX3 Nanocrystals via Postsynthesis Cation–Anion Coexchange
The Journal of Physical Chemistry C ( IF 3.3 ) Pub Date : 2019-09-25 , DOI: 10.1021/acs.jpcc.9b08317
Arthur Shapiro , Markus W. Heindl , Faris Horani , Meir-Haim Dahan , Jiang Tang ₁ , Yaron Amouyal , Efrat Lifshitz

Affiliation

In this work, a novel dynamic cation exchange driven by an anion exchange procedure was used for incorporating Ni dopants into the Pb-site of CsPbBr₃ and CsPb(BrCl)₃ perovskite nanocrystals under ambient conditions. Ni doping has significant merits in tuning the optical properties and introducing magnetic functionality. Moreover, Ni doping provides chemical and photochemical stability to a host phase with consequent importance for solar cell applications. The present work describes a thorough investigation of the Ni incorporation mechanism via structural, compositional, and optical characterizations. The results indicated the essential need for cation–anion coexchange, enabling control of the Ni concentration from <1% to about 12%, with uniform distribution across the host lattice. In addition, the doping improved the photoluminescence quantum yields beyond those of the undoped nanocrystals. The observations were corroborated by the density functional theory (DFT), confirming that the incorporation of Ni is energetically favorable.

中文翻译：

合成后阳离子-阴离子共交换对CsPbX ₃纳米晶中Ni掺杂的意义

在这项工作中，由阴离子交换程序驱动的新型动态阳离子交换用于将Ni掺杂剂掺入CsPbBr ₃和CsPb（BrCl）₃的Pb位。钙钛矿纳米晶体在环境条件下。镍掺杂在调节光学性能和引入磁性功能方面具有显着优点。而且，Ni掺杂为主体相提供化学和光化学稳定性，因此对于太阳能电池应用很重要。本工作描述了通过结构，组成和光学表征对Ni掺入机理的彻底研究。结果表明，阳离子与阴离子共交换非常必要，可以将Ni的浓度控制在<1％至12％之间，并且在整个主晶格中分布均匀。另外，掺杂提高了光致发光量子产率，超过了未掺杂的纳米晶体。密度泛函理论（DFT）证实了这些观察结果，

更新日期：2019-09-26

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