Achieving above 24% efficiency with non-toxic CsSnI₃ perovskite solar cells by harnessing the potential of the absorber and charge transport layers

RSC Advances, Journal Year: 2023, Volume and Issue: 13(34), P. 23514 - 23537

Published: Jan. 1, 2023

Lead toxicity is a barrier to the widespread commercial manufacture of lead halide perovskites and their use in solar photovoltaic (PV) devices. Eco-friendly lead-free perovskite cells (PSCs) have been developed using certain unique non- or low-toxic materials. In this context, Sn-based identified as promising substitutes for Pb-based due similar characteristics. However, suffer from chemical instability, which affects performance PSCs. This study employs theoretical simulations identify ways improve efficiency The were conducted SCAPS-1D software, lead-free, non-toxic, inorganic absorber layer (PAL), i.e. CsSnI3 was used PSC design. properties hole transport (HTL) electron (ETL) tuned optimize device. Apart this, seven different combinations HTLs studied, best-performing combination found be ITO/PCBM/CsSnI3/CFTS/Se, achieved power conversion (PCE) 24.73%, an open-circuit voltage (VOC) 0.872 V, short-circuit current density (JSC) 33.99 mA cm-2 fill factor (FF) 83.46%. second highest PCE 18.41% by ITO/PCBM/CsSnI3/CuSCN/Se structure. addition optimizing structure PSC, also analyzes density-voltage (J-V) along with quantum (QE), well impact series resistance, shunt working temperature, on PV performance. results demonstrate potential optimized enhance standard Overall, provides important insights into development materials highlights PAL can base further research

Language: Английский

---

Harnessing the potential of CsPbBr₃-based perovskite solar cells using efficient charge transport materials and global optimization

RSC Advances, Journal Year: 2023, Volume and Issue: 13(30), P. 21044 - 21062

Published: Jan. 1, 2023

Perovskite solar cells (PSCs) have become a possible alternative to traditional photovoltaic devices for their high performance, low cost, and ease of fabrication. Here in this study, the SCAPS-1D simulator numerically simulates optimizes CsPbBr

Language: Английский

---

Optimization of the architecture of lead-free CsSnCl3-perovskite solar cells for enhancement of efficiency: A combination of SCAPS-1D and wxAMPS study

Materials Chemistry and Physics, Journal Year: 2023, Volume and Issue: 308, P. 128281 - 128281

Published: July 31, 2023

Language: Английский

---

Design Insights into La₂NiMnO₆-Based Perovskite Solar Cells Employing Different Charge Transport Layers: DFT and SCAPS-1D Frameworks

Energy & Fuels, Journal Year: 2023, Volume and Issue: 37(17), P. 13377 - 13396

Published: Aug. 11, 2023

Nontoxic and inorganic lead-free double perovskite La2NiMnO6 (LNMO) has achieved tremendous attention as an absorber layer of a solar cell (SC) structure due to its outstanding optoelectronic properties support photovoltaic (PV) applications. In order check the feasibility LNMO potential SC material, structural, electronic, optical are computed within realm density functional theory (DFT). The energy band diagram confirms that is degenerate semiconductor with indirect gap (Eg) ∼0.58 eV. addition, states (DOS) implies d-orbital electron Mn Ni elements p-orbitals O contributed significantly electronic conductivity material. charge map Mulliken population analyses manifest robust accumulation around atom strong covalent bonding nature Ni–O Mn–O bonds, respectively. absorption peaks in infrared (20.0 eV), visible (2.6 near-ultra-violet (7 eV) regions reflect true PV Furthermore, SCAPS-1D simulation tool used investigate best-optimized transport (ETL)/LNMO/hole (HTL) configurations where PCBM, ZnO, C60, WS2 ETLs, while CuSCN, NiO, P3HT, PEDOT:PSS, CuSCN HTLs. WS2/LNMO/CFTS exhibited best power conversion efficiency (PCE) ∼20.18% among 24 different device combinations. four chosen for performance analysis through variation ETL thicknesses. impact series shunt resistances these structures investigated. For deeper insights, C–V plots, generation recombination rates, J–V curves, quantum plots analyzed investigated configurations.

Language: Английский

---

Perovskite Solar Cells with Dual Light Absorber Layers for Performance Efficiency Exceeding 30%

Energy & Fuels, Journal Year: 2023, Volume and Issue: 37(14), P. 10631 - 10641

Published: July 3, 2023

The present work represents a comparative modeling and performance optimization of three device configurations: ITO/ZnO/Cs2BiAgI6/Spiro-OMeTAD/Au, ITO/ZnO/CIGS/Spiro-OMeTAD/Au, ITO/ZnO/Cs2BiAgI6/CIGS/Spiro-OMeTAD/Au. concern low light absorption by materials such as Cs2BiAgI6 CIGS limits its application absorber in photovoltaic devices. Nevertheless, the can be enhanced inclusion second active layer composed graded both Cs2BiAgI6/CIGS, which effectively boosts efficiency configuration. In this study, SCAPS-1D software was employed for analyzing proposed solar cell models. optimized output parameters achieved include JSC 31.89 mA/cm2, VOC 1.108 V, FF 85.01%, PCE 30.10%, approaches Shockley-Queisser limit.

Language: Английский

---

Unraveling the strain-induced and spin–orbit coupling effect of novel inorganic halide perovskites of Ca3AsI3 using DFT

AIP Advances, Journal Year: 2023, Volume and Issue: 13(8)

Published: Aug. 1, 2023

Recently, inorganic perovskite materials have been attracting increasing attention owing to their exceptional structural, electronic, and optical characteristics in photovoltaic technology. Ca3AsI3 is a semiconductor material that shares similarities with the group of metal halide perovskites. possesses crystal structure cubic, which classified under space Pm-3m (no. 221). Our research aims analyze how electronic properties are influenced by spin–orbit coupling (SOC) strain using first-principles density-functional theory. The has an band direct bandgap roughly 1.58 eV at Γ(gamma)-point. However, when SOC relativistic effect introduced, this value decreases around 1.27 eV. As level compressive increased, becomes narrower, whereas tensile strain, wider. It observed through analysis dielectric functions, absorption coefficient, electron loss function these give ability effectively absorb visible light. According study, constant peaks shift toward lower photon energy (redshift) as increases. On other hand, subjected increased tendency higher (blueshift), per same study. Modifying gap perovskites suit optoelectronic solar cell needs could be achieved techniques involving applying strain. These approaches potential enable utilization such applications future.

Language: Английский

---

Boosting efficiency above 28% using effective charge transport layer with Sr₃SbI₃ based novel inorganic perovskite

RSC Advances, Journal Year: 2023, Volume and Issue: 13(45), P. 31330 - 31345

Published: Jan. 1, 2023

Strontium antimony iodide (Sr

---

Impact of A-Cations Modified on the Structural, Electronic, Optical, Mechanical, and Solar Cell Performance of Inorganic Novel A₃NCl₃ (A = Ba, Sr, and Ca) Perovskites

Energy & Fuels, Journal Year: 2024, Volume and Issue: 38(9), P. 8199 - 8217

Published: April 15, 2024

Recently, lead-free halide perovskites have exhibited outstanding optical absorption, enhanced stability, tunable bandgap, high carrier mobility, nontoxicity, availability of raw materials, and low cost. In this research, A-cations modified the structural, electronic, optical, mechanical, solar cell performance inorganic novel A3NCl3 (A = Ba, Sr, Ca) perovskites, which were deeply investigated using DFT SCAPS-1D simulation software. Initially, we employed Perdew–Burke–Ernzerhof (PBE) hybrid functional (HSE) within quantum espresso theory framework. The electronic structures are utilized to analyze provide explanations for real imaginary portions dielectric function, absorption coefficient, energy loss function. After profound investigation, materials exhibit a semiconducting nature with direct bandgap mechanically stable. Phonon studies also confirmed stability perovskites. values found be 0.58(1.20), 1.258(1.75), 1.683(2.30) eV PBE(HSE), respectively, Ba3NCl3, Sr3NCl3, Ca3NCl3 absorbers, decreased as A-cation changed from Ba Sr Ca. Subsequently, all optimized applied proposed structure Al/FTO/SnS2/A3NCl3/Au analysis via SCAPS-1D. Additionally, analyzed effects varying absorber thickness, acceptor density, well bulk defect density on configuration's overall performance. We J–V QE characteristics. deep analysis, Al/FTO/SnS2/Ba3NCl3/Au has shown highest power conversion efficiency (PCE) 28.81% JSC 38.26 mA/cm2, FF 79.91%, VOC 0.94 V. Although PCE was at 18.11% 8.54% 16.79 7.04 86.44% 88.10%, 1.24 1.37 V Al/FTO/SnS2/Sr3NCl3/Au Al/FTO/SnS2/Ca3NCl3/Au structures, respectively. outcomes these simulations offer insightful information that will helpful in experimental construction effective A3NCl3-based perovskite cells.

Language: Английский

---

Design and Optimization of High-Performance Novel RbPbBr₃-Based Solar Cells with Wide-Band-Gap S-Chalcogenide Electron Transport Layers (ETLs)

ACS Omega, Journal Year: 2024, Volume and Issue: 9(18), P. 19824 - 19836

Published: April 22, 2024

Inorganic cubic rubidium–lead-halide perovskites have attracted considerable attention owing to their structural, electronic, and unique optical properties. In this study, novel rubidium–lead-bromide (RbPbBr3)-based hybrid perovskite solar cells (HPSCs) with several high-band-gap chalcogenide electron transport layers (ETLs) of In2S3, WS2, SnS2 were studied by density functional theory (DFT) using the SCAPS-1D simulator. Initially, band gap performance computed DFT, these results utilized for first time in Furthermore, impact different major influencing parameters, that is, thickness layer, bulk defect density, doping concentration, interfaces, including working temperature, also investigated unveiled. Further, a study on an optimized device most potential ETL (SnS2) layer was performed systematically. Finally, comparative reported heterostructures explore benchmark recent efficient RbPbBr3-based photovoltaics. The highest power conversion efficiency (PCE) 29.75% Voc 0.9789 V, Jsc 34.57863 mA cm–2, fill factor (FF) 87.91%, while PCEs 21.15 24.57% obtained In2S3 WS2 ETLs, respectively. electron–hole generation, recombination rates, quantum (QE) characteristics detail. Thus, shows strong use high-performance photovoltaic devices.

Language: Английский

---

Analysis of the role of A-cations in lead-free A3SbI3 (A = Ba, Sr, Ca) perovskite solar cells

Journal of Materials Science, Journal Year: 2024, Volume and Issue: 59(15), P. 6365 - 6385

Published: March 31, 2024

Language: Английский

---