Green light emission in CsPbBr3 quantum dots: theoretical and experimental insight

Abhishek Kumar; Nivedita Pandey; Suryansh Dongre; Subhananda Chakrabarti

doi:10.1117/12.2543006

25 February 2020 Green light emission in CsPbBr₃ quantum dots: theoretical and experimental insight

Abhishek Kumar, Nivedita Pandey, Suryansh Dongre, Subhananda Chakrabarti

Proceedings Volume 11302, Light-Emitting Devices, Materials, and Applications XXIV; 113021X (2020) https://doi.org/10.1117/12.2543006
Event: SPIE OPTO, 2020, San Francisco, California, United States

Abstract

All inorganic Cesium based Lead halide perovskites exhibit unique and interesting photophysical properties arousing huge interest in the domain of photovoltaic cells and light emitting diodes (LEDs). In this communication, we present a deep theoretical insight employing Density Functional Theory (DFT) to understand the structural, electronic and photophysical properties of CsPbBr₃ quantum dots (QDs). Structural analysis of CsPbBr₃ QDs results in an optimized lattice parameter of 5.885 Å. Electronic properties of CsPbBr₃ QDs have been investigated by means of electronic band structure, the partial density of states (PDOS) and total density of states (TDOS) calculations. A direct band gap of 2.38 eV has been observed at the Gamma (Γ) point in its Brillouin Zone. Analysis of PDOS shows upper valence band and conduction band of the CsPbBr₃ are due to the Br (4p) orbital and Pb (6p) orbitals respectively. Moreover, the optical absorption coefficient has been also calculated using Kubo-Greenwood formula in a frame work of DFT. The optical absorption spectrum lies in both the visible and ultraviolet region. To confirm the feasibility of the above theoretical results, experiments have been also done. X-ray diffraction (XRD) pattern show consistent result in the lattice parameter with a calculated value of 5.841 Å. Photoluminescence (PL) has been performed to understand the optical behaviour of our prepared QDs. A high luminescence peak around 2.28 eV can be seen in the PL plot which confirms the emission of Green light from CsPbBr₃ QDs. These experimental results are in a good agreement with the DFT calculated results.

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Abhishek Kumar, Nivedita Pandey, Suryansh Dongre, and Subhananda Chakrabarti "Green light emission in CsPbBr₃ quantum dots: theoretical and experimental insight", Proc. SPIE 11302, Light-Emitting Devices, Materials, and Applications XXIV, 113021X (25 February 2020); https://doi.org/10.1117/12.2543006

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KEYWORDS

Perovskite

Absorption

Lead

Luminescence

Quantum dots

Light emitting diodes

Ultraviolet radiation

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