Experimental and theoretical investigation of Mn-doped CsPbCl3 with orange light emission

Nivedita Pandey; Abhishek Kumar; Suryansh Dongre; Subhananda Chakrabarti

doi:10.1117/12.2542997

25 February 2020 Experimental and theoretical investigation of Mn-doped CsPbCl₃ with orange light emission

Nivedita Pandey, Abhishek Kumar, Suryansh Dongre, Subhananda Chakrabarti

Proceedings Volume 11302, Light-Emitting Devices, Materials, and Applications XXIV; 113021W (2020) https://doi.org/10.1117/12.2542997
Event: SPIE OPTO, 2020, San Francisco, California, United States

Abstract

Cesium based wide band gap inorganic perovskites evolve as a promising material for novel applications in optoelectronic devices due to high stability and band gap tunability. In this work, we have synthesized the inorganic CsPbCl₃ nanoparticles (NPs) as well as Mn-doped CsPbCl₃ NPs. Effect of Mn as dopant on the structural properties of CsPbCl₃ has been investigated by performing the X-ray diffraction (XRD). XRD results clearly indicate lattice contraction due to the incorporation of Mn as a dopant. Photoluminescence (PL) plot of Mn-doped CsPbCl₃ shows the emission of dual colour which is attributed to d to d band transition of Mn²⁺. Blue and Orange colour emission has been seen for CsPbCl₃ and Mndoped CsPbCl₃ NPs respectively. A theoretical study has been also performed within the framework of Density Functional Theory (DFT) to validate our experimental results. DFT calculated (experimentally calculated) lattice parameters for the optimized crystal structure of CsPbCl₃ and Mn-doped CsPbCl₃ are 5.608 Å (5.621 Å) and 5.563 Å (5.574 Å) respectively. These results also show a reduction in lattice parameters due to the introduction of Mn as a dopant in CsPbCl₃ which are in good agreement with our XRD results. Electronic band structure calculation for Mn-doped CsPbCl₃ shows the presence of additional energy levels around 2.06 eV in the band gap. Additionally, Blue shift phenomena have been found in the absorption coefficient plot due to the incorporation of Mn. This communication envisages the potential of these NPs in various optoelectronic devices including orange LEDs (Light-emitting diodes).

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Nivedita Pandey, Abhishek Kumar, Suryansh Dongre, and Subhananda Chakrabarti "Experimental and theoretical investigation of Mn-doped CsPbCl₃ with orange light emission", Proc. SPIE 11302, Light-Emitting Devices, Materials, and Applications XXIV, 113021W (25 February 2020); https://doi.org/10.1117/12.2542997

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KEYWORDS

Manganese

Perovskite

Nanoparticles

Solar energy

Absorption

Light emitting diodes

Cesium

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