Defect passivation in methylammonium/bromine free inverted perovskite solar cells using charge-modulated molecular bonding

Nature Communications, Год журнала: 2024, Номер 15(1)

Опубликована: Янв. 29, 2024

Abstract Molecular passivation is a prominent approach for improving the performance and operation stability of halide perovskite solar cells (HPSCs). Herein, we reveal discernible effects diammonium molecules with either an aryl or alkyl core onto Methylammonium-free perovskites. Piperazine dihydriodide (PZDI), characterized by core-electron cloud-rich-NH terminal, proves effective in mitigating surface bulk defects modifying chemistry interfacial energy band, ultimately leading to improved carrier extraction. Benefiting from superior PZDI passivation, device achieves impressive efficiency 23.17% (area ~1 cm 2 ) (low open circuit voltage deficit ~0.327 V) along operational stability. We achieve certified ~21.47% ~1.024 inverted HPSC. strengthens adhesion via -NH I Mulliken charge distribution. Device analysis corroborates that stronger bonding interaction attenuates defect densities suppresses ion migration. This work underscores crucial role bifunctional adsorption mitigation, setting stage design charge-regulated molecular enhance

Язык: Английский

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Ionic Bonding Without Directionality Facilitates Efficient Interfacial Bridging for Perovskite Solar Cells

Small, Год журнала: 2024, Номер 20(28)

Опубликована: Фев. 11, 2024

Abstract Interface passivation through Lewis acid–base coordinate chemistry in perovskite solar cells (PSCs) is a universal strategy to reduce interface defects and hinder ion migration. However, the formation of covalent bonding demands strict directional alignment coordinating atoms. Undoubtedly, this limits selected range molecules, because successful molecular bridge between charge transport layer bottom needs well‐placed orientation. In study, it discovered that potassium ions can migrate hollow sites multiple iodine from form K‐I x ionic bonding, bonds without directionality support backbone rotation facilitate polar (carboxyl groups) chelating Pb at interface, finally forming closed‐loop structure. The synergy significantly reduces defects, changes electric field distribution, immobilizes resulting eliminating hysteresis effect enhancing performance PSCs. As result, corresponding devices achieve high efficiency exceeding 24.5% (0.09 cm 2 ), mini‐module with 21% (12.4 ). These findings provide guidelines for designing bridging strategies buried

Язык: Английский

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Probing high-efficiency Cs_0.05(FA_0.77MA_0.23)_0.95Pb(I_0.77Br_0.23)₃-based perovskite solar cells through first principles computations and SCAPS-1D simulation

RSC Advances, Год журнала: 2025, Номер 15(10), С. 7342 - 7353

Опубликована: Янв. 1, 2025

This study presents a high-efficiency perovskite solar cell structure, incorporating Cs0.05(FA0.77MA0.23)0.95Pb(I0.77Br0.23)3 as absorber, PCBM the electron transport layer (ETL), and CuSbS2 hole (HTL). First-principles calculations were conducted to explore electronic optical properties of these materials, revealing high absorption coefficient approximately 105 cm-1, making an excellent absorber. The SCAPS-1D simulation tool was employed evaluate photovoltaic performance ITO/PCBM/mixed perovskite/CuSbS2/Ag device. Various factors such different HTLs ETLs, absorber thickness, ETL HTL defect concentration, temperature, resistance analyzed optimize device performance. results demonstrate that optimized configuration achieves outstanding power conversion efficiency 28.01%, with open-circuit voltage 1.12 V, short-circuit current density 29.84 mA cm-2, fill factor 83.78%. Notably, found thickness variations have more dominant impact on than emphasizing importance engineering. findings offer promising pathway for further research material optimization, stability enhancement, large-scale fabrication, paving way next generation technologies.

Язык: Английский

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Salutary impact of spontaneous oxidation in CH3NH3SnI3 on CZTS-based solar cell

Scientific Reports, Год журнала: 2025, Номер 15(1)

Опубликована: Янв. 24, 2025

From the time of discovery, CH3NH3SnI3 has been a promising candidate in photovoltaics due to its outstanding optoelectronic properties. However, stabilization was not easy achieve CH3NH3SnI3-based solar cells. Because used as an absorber, naturally-occurring self-doping property spontaneously modified band alignment, which increased carrier recombination and decreased efficiency cell gradually. In this paper, for first time, we have presented detailed study on use hole transport layer prototype having configuration: CH3NH3SnI3/CZTS/CdS/ZnO/AZO, using SCAPS software. To understand effect spontaneous performance, analysis variation performance parameters, alignment conduction band, valance Fermi levels, charge density, current conductance, capacitance rate performed function increasing concentration. It found that, when layer, inherent became helpful trait increase extraction enhanced our device efficiency. Thus, transformed from curse boon leveraged device.

Язык: Английский

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Effect of Alkali-Metal Additive on Rudorffite AgBiI₄-Based Pb-Free Solar Cells

ACS Applied Energy Materials, Год журнала: 2025, Номер unknown

Опубликована: Март 31, 2025

Язык: Английский

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Quasi‐2D Sn‐Pb Perovskites: Advances in Optoelectronic Engineering and Device Applications

Advanced Functional Materials, Год журнала: 2025, Номер unknown

Опубликована: Апрель 24, 2025

Abstract Tin‐lead (Sn‐Pb) mixed perovskites are promising candidates for single‐junction and tandem photovoltaic devices due to their tunable bandgap, enabling efficient light absorption. However, the advancement of these materials is impeded by significant challenges, particularly poor quality films resulting from facile oxidation Sn 2+ 4+ inherent difficulties in controlling crystallization kinetics. To mitigate issues, design low‐dimensional (LD) Sn‐Pb has gained considerable attention, as 2D structures associated with improved stability distinctive optoelectronic properties. This review systematically investigates characteristics arising dimensional reduction while elucidating intricate relationship between microstructure behavior. Additionally, substantial progress made applying within heterojunction perovskite solar cells (PSCs) highlighted. Emerging applications fields such near‐infrared (NIR) detection, circularly polarized memristors also discussed. Given current understanding, further exploration diverse ligands compositions systems crucial realizing full potential practical applications.

Язык: Английский

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Self-repairing tin-based perovskite solar cells using 2,4-dichlorophenylhydrazine hydrochloride as dopant

Synthetic Metals, Год журнала: 2025, Номер unknown, С. 117882 - 117882

Опубликована: Май 1, 2025

Язык: Английский

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Assessing degradation in perovskite solar cells via thermal hysteresis of photocurrent and device simulation

Solar Energy Materials and Solar Cells, Год журнала: 2024, Номер 281, С. 113319 - 113319

Опубликована: Ноя. 28, 2024

Язык: Английский

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Ameliorating Defects in Wide Bandgap Tin Perovskite Solar Cells Using Fluorinated Solvent and Hydrazide

Small, Год журнала: 2024, Номер unknown

Опубликована: Дек. 15, 2024

Abstract Surface passivation with multifunctional molecules is an effective strategy to mitigate the defect and improve performance stability of perovskite solar cells (PSCs). Here, fabrication a wide bandgap‐PSC reported tin (WB‐Sn‐HP; bandgap: 1.68 eV), followed by molecular surface using 4‐Fluoro‐benzohydrazide (F‐BHZ). WB‐Sn‐PSC has demonstrated promising device efficiency 11.14% improved stability. The key enhancing lies in meticulous engineering both bulk properties WB‐Sn‐HP film F‐BHZ treatment as consequence stronger electrostatic potential interaction hydrazine carbonyl functionalities. A compact highly crystalline growth results longer carrier lifetime mitigation control Sn 2+ oxidation supported theoretical calculations. This work underlines chemical passivating molecules.

Язык: Английский

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Unveiling the Role of BODIPY Dyes as Small‐Molecule Hole Transport Material in Inverted Planar Perovskite Solar Cells

Solar RRL, Год журнала: 2024, Номер 8(12)

Опубликована: Май 17, 2024

Perovskite solar cells (PSCs) have become a research hotspot since their dramatic increase in power conversion efficiency (PCE), surpassing 26% due to advances cell engineering and interfacial layers. Within the last factor, hole transporting materials play crucial role enhancing device performance stability. Among several molecular building blocks, BODIPYs are attractive for design of novel material (HTMs) outstanding photophysical charge transport properties easily tuned by synthetic modifications. Herein, synthesis five new BODIPY‐based HTMs PyBDP 1–5 reported, functionalized at meso‐ α‐ positions with pyrenyl arylamino units, respectively. The resulting compounds exhibit broad absorption visible region, remarkable thermal stability, narrow bandgaps, suitable energy levels, good extraction capability, as subtracted from experimental computational characterizations. BODIPY derivatives is evaluated planar inverted (p‐ i ‐n) PSCs compared commonly used PTAA, highly efficient systems, reaching PCEs very close that obtained reference polymer (21.51%). incorporation these result an PCE 20.37% devices including PyBDP‐1 19.97% devises containing PyBDP‐3 , thus demonstrating promising alternative obtain simple organic HTMs.

Язык: Английский

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