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Highly Controllable Synthesis and DFT Calculations of Double/Triple-Halide CsPbX3 (X = Cl, Br, I) Perovskite Quantum Dots: Application to Light-Emitting Diodes

by Xinyue Lao 1,†, Xiyu Li 2,†, Hans Ågren 1,2 and Guanying Chen 1,*
1
School of Chemistry and Chemical Engineering, Harbin Institute of Technology, Harbin 150090, China
2
Department of Theoretical Chemistry and Biology, Royal Institute of Technology, S-106 91 Stockholm, Sweden
*
Author to whom correspondence should be addressed.
These authors contributed equally to this work.
Nanomaterials 2019, 9(2), 172; https://doi.org/10.3390/nano9020172
Received: 26 December 2018 / Revised: 21 January 2019 / Accepted: 26 January 2019 / Published: 30 January 2019
Although all-inorganic CsPbX3 (X = Cl, Br, I) perovskite quantum dots (PQDs) have evoked exciting new opportunities for optoelectronic applications due to their remarkable optical properties, their emission color tunability has not been investigated to any appreciable extent. In this work, double/triple CsPbX3 perovskite quantum dots with precise ratios of Cl/Br or Br/I are synthesized and their luminescence (410–700 nm) is explored. A group of down-converted CsPbX3 (X = Cl, Br, I) perovskite quantum dot light-emitting diode (LED) devices were constructed to demonstrate the potential use of such double/triple-halide CsPbX3 perovskite quantum dots with full-spectrum luminescence. Based on density functional theory, we theoretically explored the properties of CsPbX3 with double/triple anion atoms. The calculated band gaps provided strong support that the full-spectrum luminescence (410–700 nm) of double/triple CsPbX3 can be realized with the change of the mixed-halide ratios, and hence that such PQDs are of potential use in optoelectronic devices. View Full-Text
Keywords: perovskite quantum dots; light-emitting diode; density functional theory; band gap perovskite quantum dots; light-emitting diode; density functional theory; band gap
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Lao, X.; Li, X.; Ågren, H.; Chen, G. Highly Controllable Synthesis and DFT Calculations of Double/Triple-Halide CsPbX3 (X = Cl, Br, I) Perovskite Quantum Dots: Application to Light-Emitting Diodes. Nanomaterials 2019, 9, 172.

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