Cs2AgBiBr6-based perovskite solar cell: A novel combination of ITO/CdS/ Cs2AgBiBr6/ CuAlO2/Pt, with inorganic charge transport layers

Chabri, I.; Benhouria, Y.; Oubelkacem, A.; Kaiba, A.; Essaoudi, I.; Ainane, A.

doi:10.1016/j.ijleo.2023.170560

Cited by 13 publications

(3 citation statements)

References 43 publications

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“…Table 5 represents the assessment results among previously experimental [32,33] and theoretical [34][35][36][37][38] studies on PV parameters of Cs 2 AgBiBr 6 -based PSC. Among the previous studies, Alkhammash et al were able to get the highest 21.88% PCE with the structure of FTO/ZnO/Cs 2 AgBiBr 6 /NiO/Au.…”

Section: Comparison Of Scaps-1d Results With Previous Workmentioning

confidence: 99%

“…Table 5 represents the assessment results among previously experimental [ 32,33 ] and theoretical [ 34–38 ] studies on PV parameters of Cs 2 AgBiBr 6 ‐based PSC. Among the previous studies, Alkhammash et al.…”

Section: Resultsmentioning

confidence: 99%

“…and his team investigated Cs 2 AgBiBr 6 and got a PCE of 7.16%. [ 38 ] So, it is noteworthy that further research on Cs 2 AgBiBr 6 is needed to bring out the best possible combination and further improvement of photovoltaic (PV) properties for this PSC.…”

Section: Introductionmentioning

confidence: 99%

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An In‐Depth Investigation of the Combined Optoelectronic and Photovoltaic Properties of Lead‐Free Cs₂AgBiBr₆ Double Perovskite Solar Cells Using DFT and SCAPS‐1D Frameworks

Uddin,

Hossain,

Uddin

et al. 2024

Adv Elect Materials

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In the backdrop of today's environmental priorities, where toxicity and stability hinder lead‐based perovskite solar cell (PSC) progress, the emergence of lead‐free alternatives like Cs2AgBiBr6 perovskites has gained significance. This study revolves around the comprehensive evaluation of Cs2AgBiBr6 as a potential photovoltaic (PV) material, using density functional theory (DFT) calculations with CASTEP. Revealing a vital bandgap of 1.654 eV and emphasizing the contributions of Ag‐4d and Br‐4p orbitals, this analysis also underscores Ag atoms' dominance in charge distribution. Optically, Cs2AgBiBr6 exhibits UV absorption peaks around 15 eV, intensifying with photon energy up to 3.75 eV, hinting at its promise for solar applications. Guided by DFT, forty configurations involving various electron transport layers (ETLs) and hole transport layers (HTLs) are explored. Among these, CNTS emerges as the prime HTL due to ideal absorber alignment. The spotlight architecture, FTO/AZnO/Cs2AgBiBr6/CNTS/Au, boasts exceptional efficiency (23.5%), Voc (1.38 V), Jsc (21.38 mA cm−2), and FF (79.9%). In contrast, FTO/CdZnS/Cs2AgBiBr6/CNTS/Au achieves a slightly lower 23.15% efficiency. Real‐world intricacies are probed, encompassing resistances, temperature, current–voltage (J–V) traits, and quantum efficiency (QE), enhancing practical relevance. These findings are thoughtfully contextualized within prior literature, showcasing the study's contributions to non‐toxic, inorganic perovskite solar technology. This work aspires to positively steer sustainable PV advancement.

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Section: Comparison Of Scaps-1d Results With Previous Workmentioning

confidence: 99%

Section: Resultsmentioning

confidence: 99%

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An In‐Depth Investigation of the Combined Optoelectronic and Photovoltaic Properties of Lead‐Free Cs₂AgBiBr₆ Double Perovskite Solar Cells Using DFT and SCAPS‐1D Frameworks

Uddin,

Hossain,

Uddin

et al. 2024

Adv Elect Materials

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CH3NH3SnI3${\mathrm{CH}}_{\mathrm{3}}{\mathrm{NH}}_{\mathrm{3}}{\mathrm{SnI}}_{\mathrm{3}}$: Superior Light Absorption and Optimized Device Architecture with 31.93% Efficiency

Hajjami,

Chabri,

Oubelkacem

et al. 2024

Advcd Theory and Sims

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This research investigates and optimizes the perovskite solar cells. Initially, optoelectronic parameters of perovskite absorber materials, including , , and , are estimated using Density Functional Theory (DFT) principles implemented in the Quantum Espresso software. The absorption of light energy is examined, detailing electron transitions between the highest p energy states of halogens (I, Br, and Cl) in the VB and the lowest 5p energy states of tin in the CB. shows superior optical characteristics, surpassing and , and demonstrating more effective absorption within the visible spectrum than . Subsequently, a numerical analysis is conducted for a P–I–N configuration Fluorine doped Tin Oxide (FTO)////Anode using SCAPS‐1D software. The optimization process focuses on absorber thickness, defect density, acceptor density, and the work function (WF) of the anode materials. Simulation findings recommend a defect density () of for optimal performance, coupled with an absorber thickness of 1 µm. Examining the transformation from to through oxidation reveals that reducing the concentration of acceptors in the absorber layer (NA) significantly enhances device performance. Superior performance is achieved by a high WF anode material. This study not only contributes to advancing our understanding of lead‐free perovskite optoelectronics but also provides valuable insights for the development of highly efficient and stable solar cells.

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Exploring the Optoelectronic and Photovoltaic Characteristics of Lead‐Free Cs₂TiBr₆ Double Perovskite Solar Cells: A DFT and SCAPS‐1D Investigations

Hossain,

Islam,

Sakib

et al. 2024

Adv Elect Materials

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In recent times, the remarkable advancements achieved in the field of perovskite solar cells (PSCs) have sparked significant research efforts aimed at enhancing their overall performance because of their exceptional optoelectronic properties. Due to the toxicity of lead (Pb), the emergence of Ti‐based (Cs2TiBr6) double‐halide PSCs is regarded as a good alternative to Pb‐based PSCs. Here, density functional theory (DFT) calculations are performed to examine the prospect of Cs2TiBr6 perovskite as a layer of absorber for photovoltaic cells (SCs). These computations looked at the material's structural, optical, and electrical characteristics. The density of states (DOS) results demonstrate strong conductivity, principally provided by the 4p states of Br, whilst Ti‐3d and Cs‐5p orbital electrons offer insignificant contributions. The electronic band structure discloses a direct band gap of 1.534 eV. The covalent connections that exist between Ti and Br atoms and the robust electronic charge density around the Ti atom both demonstrate a significant buildup of electronic charge along the 100 planes. The dielectric function and the coefficient of absorption have significance irrespective of lower energies because it is extremely valuable for solar energy applications. The UV absorption peaks of Cs2TiBr6 have a maximum of ≈15.51 eV and are magnified with photon energy up to 2.46 eV, indicating that it may have potential for solar applications. This work also investigated a good combination of the hole transport layer (HTL) and electron transport layer (ETL) with the Cs2TiBr6 absorber layer. AZnO, Nb2O5, LBSO, and Zn2SnO4 are executed as the ETLs, and MoO3, CuAlO2, MEH‐PPV, ZnTe, CNTS, GaAs, MoS2, PTAA, Cu2Te, Zn3P2 are considered as the HTLs to identify the best HTL/Cs2TiBr6/ETL combinations using the SCAPS‐1D numerical simulation. Among all configurations, ITO/LBSO/Cs2TiBr6/CNTS/Au is examined as the best‐optimized structure of Ti‐based PSC, with JSC of 26.63 mA cm−2, a VOC of 1.123 V, FF of 82.94%, and a power conversion efficiency of 24.82%. To validate the findings, PV parameters like the effect of generation rate, recombination rate, J−V, and Q‐E characteristics are evaluated. The effect of series and shunt resistance and structure working temperature are explored to observe the effect of these on PSC devices. The accomplished outcomes suggest that Cs2TiBr6 can be viewed as an optimistic material for PSCs for its higher stability and environment‐friendly characteristics.

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Cs2AgBiBr6-based perovskite solar cell: A novel combination of ITO/CdS/ Cs2AgBiBr6/ CuAlO2/Pt, with inorganic charge transport layers

Cited by 13 publications

References 43 publications

An In‐Depth Investigation of the Combined Optoelectronic and Photovoltaic Properties of Lead‐Free Cs₂AgBiBr₆ Double Perovskite Solar Cells Using DFT and SCAPS‐1D Frameworks

An In‐Depth Investigation of the Combined Optoelectronic and Photovoltaic Properties of Lead‐Free Cs₂AgBiBr₆ Double Perovskite Solar Cells Using DFT and SCAPS‐1D Frameworks

CH3NH3SnI3${\mathrm{CH}}_{\mathrm{3}}{\mathrm{NH}}_{\mathrm{3}}{\mathrm{SnI}}_{\mathrm{3}}$: Superior Light Absorption and Optimized Device Architecture with 31.93% Efficiency

Exploring the Optoelectronic and Photovoltaic Characteristics of Lead‐Free Cs₂TiBr₆ Double Perovskite Solar Cells: A DFT and SCAPS‐1D Investigations

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Cs2AgBiBr6-based perovskite solar cell: A novel combination of ITO/CdS/ Cs2AgBiBr6/ CuAlO2/Pt, with inorganic charge transport layers

Cited by 13 publications

References 43 publications

An In‐Depth Investigation of the Combined Optoelectronic and Photovoltaic Properties of Lead‐Free Cs2AgBiBr6 Double Perovskite Solar Cells Using DFT and SCAPS‐1D Frameworks

An In‐Depth Investigation of the Combined Optoelectronic and Photovoltaic Properties of Lead‐Free Cs2AgBiBr6 Double Perovskite Solar Cells Using DFT and SCAPS‐1D Frameworks

CH3NH3SnI3${\mathrm{CH}}_{\mathrm{3}}{\mathrm{NH}}_{\mathrm{3}}{\mathrm{SnI}}_{\mathrm{3}}$: Superior Light Absorption and Optimized Device Architecture with 31.93% Efficiency

Exploring the Optoelectronic and Photovoltaic Characteristics of Lead‐Free Cs2TiBr6 Double Perovskite Solar Cells: A DFT and SCAPS‐1D Investigations

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An In‐Depth Investigation of the Combined Optoelectronic and Photovoltaic Properties of Lead‐Free Cs₂AgBiBr₆ Double Perovskite Solar Cells Using DFT and SCAPS‐1D Frameworks

An In‐Depth Investigation of the Combined Optoelectronic and Photovoltaic Properties of Lead‐Free Cs₂AgBiBr₆ Double Perovskite Solar Cells Using DFT and SCAPS‐1D Frameworks

Exploring the Optoelectronic and Photovoltaic Characteristics of Lead‐Free Cs₂TiBr₆ Double Perovskite Solar Cells: A DFT and SCAPS‐1D Investigations