Study of bromine substitution on band gap broadening with consequent blue shift in optical properties and efficiency optimization of lead-free CsGeIXBr3−X based perovskite solar cells

Sarkar, Joy; Talukdar, Avijit; Debnath, Pratik; Chatterjee, Suman

doi:10.1007/s10825-023-02038-4

Cited by 5 publications

(2 citation statements)

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“…By comparing the electronic properties of undoped Cs 2 PtX 6 , it was observed that the bandgap of the doped ones can be effectively adjusted through the substitution of halide ions. Sarkar et al 104 conducted a DFT analysis to examine the electronic and optical characteristics of CsGeI x Br 3− x materials. The research showed that increasing the concentration of bromine doping in the CsGeI x Br 3− x perovskite led to a decrease in bond length and expansion of the bandgap.…”

Section: Doping Strategy Application On Lfhps Solar Cellsmentioning

confidence: 99%

Doping strategies for inorganic lead-free halide perovskite solar cells: progress and challenges

Jiang,

Liu,

Zhao

et al. 2024

Phys. Chem. Chem. Phys.

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Section: Doping Strategy Application On Lfhps Solar Cellsmentioning

confidence: 99%

Doping strategies for inorganic lead-free halide perovskite solar cells: progress and challenges

Jiang,

Liu,

Zhao

et al. 2024

Phys. Chem. Chem. Phys.

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“…The increased average bond length value, as shown in table 2, indicates reduced orbital overlap, leading to a weaker bond. These generally result in a lower bandgap (E g ) and a higher dielectric constant value in the Cu-doped perovskite [55]. In solar cells, a higher dielectric constant is advantageous as it reduces the recombination of charge carriers, resulting in improved conversion efficiency [56].…”

Section: Optical Propertiesmentioning

confidence: 99%

Effect of metal (Cr, Sr, Ag, Cu) doping on the performance of lead-free RbSnI₃ based perovskite solar cells: A theoretical approach

Sarkar,

Chaki,

Mandal

et al. 2024

Phys. Scr.

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Perovskite solar cells based on lead have witnessed unprecedented growth over the past decade, achieving an impressive power conversion efficiency (PCE) of 25.8%. However, lead toxicity remains a concern for commercialization. In order to resolve the matter, scientists have been investigating alternative materials; in this context, rubidium-based lead-free perovskites like RbSnI3 may be a promising alternative because it has a high optical conductivity and absorption coefficient. Density Functional Theory (DFT)-based first-principles studies are used in this work to examine the effect of metal doping (specifically Cr, Sr, Ag, and Cu) on the optoelectronic and structural characteristics of orthorhombic RbSnI3 perovskite. In addition, we conducted a comprehensive study to investigate the impact of metal doping on the formation energy, structural stability, and HOMO-LUMO energy levels of RbSnI3 perovskite. Introducing transition metal cations (Cr2+, Ag+, and Cu+) at the Rb site results in a flat band in the conduction band region, transforming the RbSnI3’s indirect band gap into a direct one and significantly affecting the optoelectronic properties. The DFT results are then integrated into the Solar Cell Capacitance Simulator (SCAPS-1D) to estimate the effectiveness of the modeled device. The Cu-doped RbSnI3 device exhibits the highest PCE of 20.2%. Furthermore, Ag and Cu doping in RbSnI3 increases bond length, which reduces exciton binding energy and helps with charge carrier generation.

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Band structure study of pure and doped anatase titanium dioxide (TiO2) using first-principle-calculations: role of atomic mass of transition metal elements (TME) on band gap reduction

Ahmed,

Abdullah,

Mamand

et al. 2024

Opt Quant Electron

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Study of bromine substitution on band gap broadening with consequent blue shift in optical properties and efficiency optimization of lead-free CsGeIXBr3−X based perovskite solar cells

Cited by 5 publications

References 57 publications

Doping strategies for inorganic lead-free halide perovskite solar cells: progress and challenges

Doping strategies for inorganic lead-free halide perovskite solar cells: progress and challenges

Effect of metal (Cr, Sr, Ag, Cu) doping on the performance of lead-free RbSnI₃ based perovskite solar cells: A theoretical approach

Band structure study of pure and doped anatase titanium dioxide (TiO2) using first-principle-calculations: role of atomic mass of transition metal elements (TME) on band gap reduction

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Study of bromine substitution on band gap broadening with consequent blue shift in optical properties and efficiency optimization of lead-free CsGeIXBr3−X based perovskite solar cells

Cited by 5 publications

References 57 publications

Doping strategies for inorganic lead-free halide perovskite solar cells: progress and challenges

Doping strategies for inorganic lead-free halide perovskite solar cells: progress and challenges

Effect of metal (Cr, Sr, Ag, Cu) doping on the performance of lead-free RbSnI3 based perovskite solar cells: A theoretical approach

Band structure study of pure and doped anatase titanium dioxide (TiO2) using first-principle-calculations: role of atomic mass of transition metal elements (TME) on band gap reduction

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Product

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Effect of metal (Cr, Sr, Ag, Cu) doping on the performance of lead-free RbSnI₃ based perovskite solar cells: A theoretical approach