Highly efficient Cesium Titanium (IV) Bromide perovskite solar cell and its point defect investigation: A computational study

Khan, Md. Abdul Kaium; Urmi, Sadia Sultana; Ferdous, Tasnim Tareq; Azam, Sakibul; Alim, Mohammad Abdul

doi:10.1016/j.spmi.2021.106946

Cited by 18 publications

(13 citation statements)

References 67 publications

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“…[ 71 ] For Ti‐based perovskite solar cells, gold (Au) is chosen as an optimal back contact metal with a work function of 5.1 eV. [ 51,56 ]…”

Section: Performance Of Ti‐based Vacancy‐ordered‐dhps Solar Cell (Com...mentioning

confidence: 99%

“…Materials with lower work functions perform poorly due to the Schottky junction formation at the HTL/back contact interface. [ 56 ] However, practically, the use of gold as back contact requires thermal evaporation under high‐vacuum conditions, which increases the cost and energy consumption and has detrimental effects on the device stability due to the metal diffusion during the operation of devices. In this context, carbon is another element considered for back contact material.…”

Section: Performance Of Ti‐based Vacancy‐ordered‐dhps Solar Cell (Com...mentioning

confidence: 99%

“…The use of MoO 3 also contributes to the slight increase in ZnO performance compared to TiO 2 . [56] . Moreover, tin (IV) oxide (SnO 2 ) could also be adopted as an ETL.…”

Section: Selection Of Etl and Htl Materials For Ti-based Vacancy-orde...mentioning

confidence: 99%

“…[71] For Ti-based perovskite solar cells, gold (Au) is chosen as an optimal back contact metal with a work function of 5.1 eV. [51,56] Performance comparison of different back contact materials in Cs 2 TiBr 6 PSC via computational studies proves that Au is a promising back contact material with a high PCE compared with other materials (Table 7). FTO/TiO 2 /Cs 2 TiBr 6 /CuO integrated with different back contact materials shows a trend of increased performance with increasing work function value.…”

Section: Selection Of Etl and Htl Materials For Ti-based Vacancy-orde...mentioning

confidence: 99%

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Titanium‐Based Vacancy‐Ordered Double Halide Family in Perovskite Solar Cells

Aslam

Farooqi

Rahman

et al. 2022

Physica Status Solidi (a)

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The toxicity and stability risk of perovskite structured materials have raised concerns in respective to utilization as a solar energy conversion material. The most common perovskite structured material is lead (Pb)-based, which is an element that is knowingly toxic to humans and the environment. Although the stability issue has been well allayed with several optimizations, the ruinous Pb remains a future challenge for perovskite solar cells. Compositional and structural derivatives of the perovskite family, specifically vacancy-ordered double halide perovskites (DHPs), have attracted the attention of researchers in terms of efficiency and toxicity issues subjugation. Although tin (Sn)-based vacancyordered DHPs have been widely explored, the intrinsic property conduces low performance output. Titanium (Ti) is a potential substituting candidate of Sn in a vacancy-ordered DHPs structure. It is an environment-friendly element ideal for sustainable perovskite structured compositions. Rudimentary studies of Ti-based vacancy-ordered DHPs emphasized its potential development as an eco-friendly and stable solar cell. In promoting the development of Ti-based vacancy-ordered DHPs as potential absorbers, we summarized herein the recent progress of experimental and theoretical studies of this perovskite material.

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“…[ 71 ] For Ti‐based perovskite solar cells, gold (Au) is chosen as an optimal back contact metal with a work function of 5.1 eV. [ 51,56 ]…”

Section: Performance Of Ti‐based Vacancy‐ordered‐dhps Solar Cell (Com...mentioning

confidence: 99%

Section: Performance Of Ti‐based Vacancy‐ordered‐dhps Solar Cell (Com...mentioning

confidence: 99%

“…The use of MoO 3 also contributes to the slight increase in ZnO performance compared to TiO 2 . [56] . Moreover, tin (IV) oxide (SnO 2 ) could also be adopted as an ETL.…”

Section: Selection Of Etl and Htl Materials For Ti-based Vacancy-orde...mentioning

confidence: 99%

Section: Selection Of Etl and Htl Materials For Ti-based Vacancy-orde...mentioning

confidence: 99%

See 2 more Smart Citations

Titanium‐Based Vacancy‐Ordered Double Halide Family in Perovskite Solar Cells

Aslam

Farooqi

Rahman

et al. 2022

Physica Status Solidi (a)

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“…This optimum absorber N t was slightly lower than the 10 14 cm À3 optimum N t attained for the same absorber layer in the published literature. 49 Moreover, the modulation in the total recombination profile of the solar cell with various absorber defect densities has been plotted in Figure S5 of the supporting information.…”

Section: Effect Of the Change In Absorber Layer Defect Densitymentioning

confidence: 99%

Investigating the theoretical performance ofCs₂TiBr₆‐based perovskite solar cell with La‐dopedBaSnO₃andCuSbS₂as the charge transport layers

Shivesh

Alam

Kushwaha³

et al. 2021

Intl J of Energy Research

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A lead-free, completely inorganic, and nontoxic Cs 2 TiBr 6 -based double perovskite solar cell (PSC) was simulated via SCAPS 1-D. La-doped BaSnO 3 (LBSO) was applied as the electron transport layer (ETL) unprecedentedly in the simulation study of PSCs, while CuSbS 2 was utilized as the hole transport layer (HTL). wxAMPS was used to validate the results of SCAPS simulations. Moreover, the first-principle density function theory (DFT) calculations were performed for validating the 1.6 eV bandgap of the Cs 2 TiBr 6 absorber. To enhance the device performance, we analyzed and optimized various parameters of the PSC using SCAPS. The optimum thickness, defect density, and bandgap of the absorber were 1000 nm, 10 13 cm À3 , and 1.4 eV, respectively. Furthermore, the optimum thickness, hole mobility, and electron affinity of the HTL were 400 nm, 10 2 cm 2 V À1 s À1 , and 4.1 eV, respectively. However, the ETL thickness had a negligible effect on the device's efficiency. The optimized values of doping density for the absorber layer, HTL, and ETL were 10 15 , 10 20 , and 10 21 cm À3 , respectively. Herein, the effect of different HTLs was analyzed by matching up the built-in voltage (V bi ) in respect of the open-circuit voltage (V OC ). It was found that the V bi was directly proportional to the V OC , and CuSbS 2 was the champion in terms of efficiency for the PSC. The optimum work function of metal contact and temperature of the PSC were 5.9 eV and 300 K, respectively. After the final optimization, the device achieved an exhilarating PCE of 29.13%. Novelty Statement• LBSO was used as the ETL for the very first time in the simulation study of PSCs, while CuSbS 2 was utilized as the HTL.

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Wide‐Bandgap Perovskite‐Inspired Materials: Defect‐Driven Challenges for High‐Performance Optoelectronics

Grandhi,

Hardy,

Krishnaiah

et al. 2023

Adv Funct Materials

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The remarkable success of lead halide perovskites (LHPs) in photovoltaics and other optoelectronics is significantly linked to their defect tolerance, although this correlation remains not fully clear. The tendency of LHPs to decompose into toxic lead‐containing compounds in the presence of humid air calls for the need of low‐toxicity LHP alternatives comprising of cations with stable oxidation states. To this aim, a plethora of low‐dimensional and wide‐bandgap perovskite‐inspired materials (PIMs) are proposed. Unfortunately, the optoelectronic performance of PIMs currently lags behind that of their LHP‐based counterparts, with a key limiting factor being the high concentration of defects in PIMs, whose rich and complex chemistry is still inadequately understood. This review discusses the defect chemistry of relevant PIMs belonging to the halide elpasolite, vacancy‐ordered double perovskite, pnictogen‐based metal halide, Ag‐Bi‐I, and metal chalcohalide families of materials. The defect‐driven optical and charge‐carrier transport properties of PIMs and their device performance within and beyond photovoltaics are especially discussed. Finally, a view on potential solutions for advancing the research on wide‐bandgap PIMs is provided. The key insights of this review will help to tackle the commercialization challenges of these emerging semiconductors with low toxicity and intrinsic air stability.

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Highly efficient Cesium Titanium (IV) Bromide perovskite solar cell and its point defect investigation: A computational study

Cited by 18 publications

References 67 publications

Titanium‐Based Vacancy‐Ordered Double Halide Family in Perovskite Solar Cells

Titanium‐Based Vacancy‐Ordered Double Halide Family in Perovskite Solar Cells

Investigating the theoretical performance ofCs₂TiBr₆‐based perovskite solar cell with La‐dopedBaSnO₃andCuSbS₂as the charge transport layers

Wide‐Bandgap Perovskite‐Inspired Materials: Defect‐Driven Challenges for High‐Performance Optoelectronics

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Highly efficient Cesium Titanium (IV) Bromide perovskite solar cell and its point defect investigation: A computational study

Cited by 18 publications

References 67 publications

Titanium‐Based Vacancy‐Ordered Double Halide Family in Perovskite Solar Cells

Titanium‐Based Vacancy‐Ordered Double Halide Family in Perovskite Solar Cells

Investigating the theoretical performance ofCs2TiBr6‐based perovskite solar cell with La‐dopedBaSnO3andCuSbS2as the charge transport layers

Wide‐Bandgap Perovskite‐Inspired Materials: Defect‐Driven Challenges for High‐Performance Optoelectronics

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Investigating the theoretical performance ofCs₂TiBr₆‐based perovskite solar cell with La‐dopedBaSnO₃andCuSbS₂as the charge transport layers