First-Principles Investigation on the Stability, Electronic Structure, and Exciton Self-Trapping Mechanism of 0D and 1D Cs3Cu2Cl5

Copper­(I) halides with broadband emission from self-trapped excitons (STEs) are promising luminescent materials due to their structural diversities and intriguing photophysical properties. Despite great efforts invested in these materials, an in-depth understanding of their structural variations an...

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Veröffentlicht in:	Journal of physical chemistry. C 2023-05, Vol.127 (19), p.9113-9120
Hauptverfasser:	Xiong, Lin, Sun, Huaiyang, Li, Shuoxue, Jiang, Hong
Format:	Artikel
Sprache:	eng
Schlagworte:	C: Spectroscopy and Dynamics of Nano, Hybrid, and Low-Dimensional Materials
Online-Zugang:	Volltext
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