Theoretical study on the ferroelectric and light absorption properties of Li<sub>2</sub>SbBiO<sub>6</sub> for harvesting visible light

Chen, Xing-Yuan; Ling, Shi-Wu; Xu, Hao; Che, You-Da; Chen, Lifang; Xu, Xiaoding; Tang, Jia-Jun; Ye, Jiahui; Ji, Hong; Yan, Danlin

doi:10.1039/d2ra05114a

Cited by 3 publications

(1 citation statement)

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“…Chen et al [32], used ab-initio calculations to investigate double perovskites Li 2 SbBiO 6 characteristics like their stability and optoelectronic. Their analysis's findings demonstrate that Li 2 SbBiO 6 satisfies stability requirements, preserves LiSbO 3 , and reported their band gap in visible region.…”

Section: Introductionmentioning

confidence: 99%

DFT investigations of optoelectronic and electronic transport properties of Li-based double perovskites for energy storage applications

2023

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Because of their non-toxicity as well as environmental stability, Li-based double perovskites are an excellent choice for energy storage, optoelectronic, as well as thermoelectric uses. This density functional theory (DFT) study looks at the physical attributes of the Li2AgBiY6(Y = Cl, Br, I), which might benefit thermal and optoelectronics uses. The Born stability criteria, tolerance factor, and formation energy are calculated for structural stability in the cubic phase. The computed indirect band gaps for Li2AgBiY6(Y = Cl, Br, and I) ensure maximum UV and visible spectrum absorption. As a result, all of the double perovskites investigated are often utilized in optoelectronic purposes like solar cells, photo-catalysts, and LED. The electrical conductivity, thermal conductivity, and the Seebeck coefficient are used to investigate transport qualities. Li2AgBiY6(Y = Cl, Br, and I )compounds double perovskites having ZT indices 0.57 and 0.56, respectively, highlighting their importance for thermoelectric devices.

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Section: Introductionmentioning

confidence: 99%

DFT investigations of optoelectronic and electronic transport properties of Li-based double perovskites for energy storage applications

2023

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Investigation of structural, electronic, optical and elastic properties of Li-based halide perovskites LiXCl3 (X = Ca, Ba) via DFT computations

Algahtani,

Abdullah,

Amina

et al. 2024

Opt Quant Electron

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A DFT study: Tailoring opto-electronic and thermoelectric performance of K2SeX6 (X = Cl, Br) double perovskites for solar cell advancements

Manzoor,

Iqbal,

Sadique

et al. 2024

Chinese Journal of Physics

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Theoretical study on the ferroelectric and light absorption properties of Li₂SbBiO₆ for harvesting visible light

Abstract: Li2SbBiO6 slightly improves the ferroelectric polarization of LiSbO3 and significantly reduces the band gap to expand its applications in photovoltaic and photocatalysis under visible light.

Cited by 3 publications

References 43 publications

DFT investigations of optoelectronic and electronic transport properties of Li-based double perovskites for energy storage applications

DFT investigations of optoelectronic and electronic transport properties of Li-based double perovskites for energy storage applications

Investigation of structural, electronic, optical and elastic properties of Li-based halide perovskites LiXCl3 (X = Ca, Ba) via DFT computations

A DFT study: Tailoring opto-electronic and thermoelectric performance of K2SeX6 (X = Cl, Br) double perovskites for solar cell advancements

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Theoretical study on the ferroelectric and light absorption properties of Li2SbBiO6 for harvesting visible light

Abstract: Li2SbBiO6 slightly improves the ferroelectric polarization of LiSbO3 and significantly reduces the band gap to expand its applications in photovoltaic and photocatalysis under visible light.

Cited by 3 publications

References 43 publications

DFT investigations of optoelectronic and electronic transport properties of Li-based double perovskites for energy storage applications

DFT investigations of optoelectronic and electronic transport properties of Li-based double perovskites for energy storage applications

Investigation of structural, electronic, optical and elastic properties of Li-based halide perovskites LiXCl3 (X = Ca, Ba) via DFT computations

A DFT study: Tailoring opto-electronic and thermoelectric performance of K2SeX6 (X = Cl, Br) double perovskites for solar cell advancements

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Theoretical study on the ferroelectric and light absorption properties of Li₂SbBiO₆ for harvesting visible light