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Suppression of Iodide Ions Migration via Sb2S3 interfacial Modification for stable Inorganic Perovskite Solar Cells
摘要： In mixed halide perovskite, the halide phase segregation is commonly observed due to halide ions migration, which causes severe stability issues in perovskite devices. Here, we directly revealed the iodide-migration process via potentiostatic treatment in CsPbIBr2 perovskite. The absence of iodide ions was reduced significantly via Sb2S3 interfacial modification. We further employed the DFT calculation to optimize the geometry positions at the perovskite interface and radial distribution functions (RDF) to analyze the atom perturbation. The simulation yielded a slight distortion of perovskite lattice at the interface of Sb2S3-CsPbIBr2 and iodide ions fluctuation was reduced due to the decrease of halide vacancies. In addition, the thermally stimulated current was calculated to evaluate the defects density in the modified perovskite device. Due to the Sb2S3 interaction with perovskite, the device became stable against humidity and maintained photoactive over 400 h. The champion efficiency of 9.31% with 26.31% improvement was obtained in modified CsPbIBr2 perovskite solar cells.
关键词： stability,The mixed halide perovskite,Sb2S3,DFT,iodide ions migration
更新于2025-11-14 15:15:56
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Controllable orientations for Sb <sub/>2</sub> S <sub/>3</sub> solar cells by vertical VTD method
摘要： Antimony sulfide (Sb2S3) is a promising photoelectric material because of its wide bandgap approximately 1.7 eV for next-generation solar cells, high optical absorption coefficient, and its green and earth-abundant constituents. Different to traditional cubic structure photovoltaic materials, Sb2S3 holds one-dimensional crystal structure and its thin film with [hk1] preferred orientation shows one-order-higher carrier transport mobility. However, all the reported Sb2S3 films exhibited [hk0] preferred orientation on CdS-based superstrate device structure up to now. Thus, it is indispensable to study the controllable-orientations Sb2S3 film deposition and the relationship between the orientation and performances. In this paper, we develop a vertical vapor transport deposition (V-VTD) method, which can tune the preferred orientation of Sb2S3 thin film from [hk0] to [hk1] by reaction recipe monitoring. Combining the experiment results, a reasonable deposition/reevaporation competing model is suggested to explain above orientation conversion mechanism. The device efficiency increases from less than 2% to about 4% with the orientation of Sb2S3 film changing from [hk0] to [hk1]. By fine regulating the technique of deposition, the device with [hk1] orientation has better crystallinity, lower interface recombination, and higher built-in voltage comparing with the [hk0] one. Finally, a champion power conversion efficiency (PCE) of 4.5% has been achieved, and the VOC of 730 mV is the top value among the Sb2S3 solar cells. The present versatile orientation tuning strategy could overcome the bottleneck of strong anisotropic materials and show high potential for noncubic material deposition and related optoelectronic device performance enhancement.
关键词： vertical vapor transport deposition,solar cell,controllable orientations,Sb2S3,orientation conversion mechanism
更新于2025-09-23 15:21:01
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Two stage modelling of solar photovoltaic cells based on Sb2S3 absorber with three distinct buffer combinations
摘要： Solar cell research has always been an attraction by virtue of its clean and green status. However, to overcome the implications of high cost and moderate efficiency, there has always been fierce competition to search alternative approach for designing efficient solar cells with optimal performance-cost ratio. Recently, antimony sulfide (Sb2S3) has received substantial attention as an absorber in thin film solar cells due to earth abundance, low cost, non-toxic property and high optical absorption. Still, its performance could not match Si based cells. In this work, we adopted two-stage simulation approach to design Sb2S3 absorber based heterojunction solar cell to enhance efficiency. Initial simulation for configuration optimization was done considering thickness, defect density, recombination (radiative, Auger) effect, carrier density of the Sb2S3 absorber layer. Buffer layer thickness and absorption coefficient optimization was taken up. Further, series and shunt resistance of the device as well as conduction band offset (CBO) at absorber/buffer interface was also optimized at initial stage only. In the next level of simulation, efficiency enhancement was achieved by optimizing optimal back contact metal work function, absorber layer band gap grading and temperature. The aforesaid two-stage optimization yielded efficiency ~24.81%, which is higher than conventional thin film solar cell. The optimal solar cell structure configuration, for Sb2S3 absorber solar cell, suggested a positive CBO of 0.26 eV (e.g.; ZnS buffer layer), a back contact metal work function of 5.1 eV (e.g.; Mo, Au) and band gap grading window ~1.31 to 1.62 eV.
关键词： Conduction band offset,Sb2S3 solar cell,Work function,Band gap grading,Simulation
更新于2025-09-23 15:21:01
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The effect of absorber thickness on the planar Sb2S3 thin film solar cell: Trade-off between light absorption and charge separation
摘要： Antimony sulfide Sb2S3 is an emerging photovoltaic absorber, which has been widely studied on synthesis route, device structure and interface. However, its device performance is still limited by the unoptimized Sb2S3 absorber and interface recombination, in which the neglected character of thickness is unclear. Here, the effect of absorber thickness on the Sb2S3 thin film solar cell was carefully investigated in the range of 80–620 nm, aiming to reveal the trade-off between charge separation and light absorption in the device. The characterization of JV and Sb2S3 thin film found that too thin Sb2S3 would lower the VOC and JSC, which was attributed to the severe shunt and insufficient absorption. While the too thick Sb2S3 would hinder the charge separation. This tendency was also confirmed by the performance simulation of device. Finally, the best power conversion efficiency of 4.96% is achieved with a 544 nm Sb2S3 absorber. This work provides the guidance to optimize the thickness of Sb2S3 absorber for solar cells.
关键词： Absorption,Recombination,Thickness,Solar cells,Sb2S3
更新于2025-09-23 15:19:57
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Influence of Surface Modifier Molecular Structures on the Photovoltaic Performance of Sb <sub/>2</sub> S <sub/>3</sub> Sensitized TiO <sub/>2</sub> Nanorod Array Solar Cells
摘要： In this paper, Sb2S3 sensitized TiO2 nanorod arrays are prepared by the pyrolysis of 1.2 M antimony-thiourea complex solution in DMF at 270 ℃ for 10 min. Various surface modifiers with different functional groups and carbon numbers of C10H21PO3H2, C12H25SO3Na, C3H7COOH, C5H11COOH, C7H15COOH, C11H23COOH, C13H27COOH, C15H31COOH and C17H35COOH are applied to modify Sb2S3 sensitized TiO2 nanorod arrays. The corresponding solar cells are fabricated, and their photovoltaic performances are evaluated. To the different functional group surface modifiers, the improvement of functional group on photovoltaic performance is the order of -COOH > -PO3H2 > -SO3Na. To the different carbon number (4-18) surface modifiers, RCOOH with carbon number range of 8-12 exhibit better photovoltaic performance. Moreover, the Sb2S3 sensitized TiO2 nanorod array solar cells with C11H23COOH achieve the best photoelectric conversion efficiency (PCE) of 5.37 % with the open-circuit voltage (Voc) of 0.53 V, short-circuit current density (Jsc) of 16.98 mA?cm-2, fill factor (FF) of 60.66 % and the average PCE of 5.11±0.21 % with the Voc of 0.52±0.01 V, Jsc of 16.65±0.24 mA?cm-2, FF of 58.93±1.21 %. The PCE of 5.37 % corresponding to the use of spiro-OMeTAD as the hole transporting material is a relatively high PCE for Sb2S3 solar cells.
关键词： spiro-OMeTAD,Sb2S3 sensitized TiO2 nanorod array,solar cell,surface modifier
更新于2025-09-23 15:19:57
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Quasi-Vertically-Orientated Antimony Sulfide Inorganic Thin-Film Solar Cells Achieved by Vapor Transport Deposition
摘要： The one-dimensional photovoltaic absorber material Sb2S3 requires crystal orientation engineering to enable efficient carrier transport. In this work, we adopted a vapor transport deposition (VTD) method to fabricate vertically aligned Sb2S3 on a CdS buffer layer. Our work shows that such a preferential vertical orientation arises from the sulfur deficit of the CdS surface which creates a beneficial bonding environment between exposed Cd2+ dangling bonds and S atoms in the Sb2S3 molecules. The CdS/VTD-Sb2S3 interface recombination is suppressed by such properly aligned ribbons at the interface. Compared with typical [120]-oriented Sb2S3 films deposited on CdS by rapid thermal evaporation (RTE) method, the VTD-Sb2S3 thin film is highly [211]- and [121]- oriented and the performance of the solar cell is increased considerably. Without using any hole transportation layer, a conversion efficiency of 4.73% is achieved with device structure of ITO/CdS/Sb2S3/Au. This work provides a potential way to acquire vertical aligned thin films on different buffer layers.
关键词： inorganic device,Sb2S3 solar cell,Vapor transport deposition,thin film,vertical growth
更新于2025-09-23 15:19:57
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Orientation modulation of ZnO nanorods on charge transfer performance enhancement for Sb2S3 quantum dot sensitized solar cells
摘要： ZnO nanorods nanorod films are prepared by electrochemical deposition process, which are employed as the photo-electrodes for the Sb2S3 quantum dot sensitized solar cells. The orientation of ZnO NRs nanorods (NRs) is modulated by different heating time. The changing on orientation of ZnO NRs has no influences on UV-Vis absorption spectra. And the photoluminescence spectra have indicated that the random orientation ZnO NRs have the better charge separation property. Due to the much more transfer paths from the random orientation of ZnO NRs, the Sb2S3 quantum dot sensitized ZnO NRs solar cells by heating time of 20 min has exhibited an excellent charge transfer property, which can obtain much higher current density of the solar cells, achieving a photovoltaic power conversion efficiency of 2.43%.
关键词： ZnO nanorods films,Sb2S3 quantum dot sensitized solar cells,orientation modulation,charge transfer performance enhancement
更新于2025-09-19 17:13:59
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Current improvement of substrate structured Sb<sub>2</sub>S<sub>3</sub> solar cells with MoSb<sub>2</sub> interlayer
摘要： Sb2S3 solar cells with substrate structure usually suffer from pretty low JSC, due to its wide bandgap (~1.7 eV) and poor carrier transport. As a one-dimensional material, Sb2S3 exhibits orientation-dependent carrier transport property. Herein, a thin MoSe2 layer is directly synthesized on the Mo substrate followed by the deposition of Sb2S3 thin film. X-Ray Diffraction (XRD) patterns confirm that a thin MoSe2 layer can improve the crystallization of Sb2S3 film and induce (hk1) orientations, which could provide more carrier transport channels. Kelvin probe force microscopy (KPFM) results suggest this modified Sb2S3 film has a benign surface with less defects and dangling bonds. The variation of surface potential of Sb2S3 indicates a much efficient carrier separation. Consequently, the power conversion efficiency (PCE) of substrate structured Sb2S3 thin film solar cell is improved from 1.36% to 1.86%, which is the best efficiency of the substrate structured Sb2S3 thin film solar cell, and JSC significantly increase to 13.6 mA/cm2. According to EQE and C-V measurements, the modified crystallization and elevated built-in electric field are the main causes.
关键词： built-in electric filed,KPFM,Sb2S3 thin film,super thin MoSe2
更新于2025-09-19 17:13:59
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Copper doping of Sb2S3: fabrication, properties, and photovoltaic application
摘要： Sb2S3 solar cells are lagging behind conventional thin-film solar cells such as silicon solar cells and cadmium telluride solar cells in the power conversion efficiency (PCE). One of the most prominent problems is that the carrier concentration of Sb2S3 is relatively low. In order to increase the carrier concentration, elemental Cu was doped into Sb2S3 film by radio-frequency (RF) magnetron sputtering. We proved that Cu was doped into Sb2S3 films and mainly anchored with sulfur in the form of copper chalcogenide species at the surface and grain boundaries of Sb2S3. The doping of Cu essentially affects the physical and electrical properties of RF-sputtered Sb2S3 films such as the optical band gap, crystallinity, chemical composition, morphology, and carrier concentration. Specially, the electronic carrier concentration is remarkably increased from 6.28 × 109 to 6.06 × 1010 cm?3 and the Fermi level is also significantly uplifted after prudent doping with Cu. Planar solar cells based on RF-sputtered Cu-doped Sb2S3 absorber deliver an increased PCE of 1.13% and show good stability. This research proves that doping of Cu is an alternative and effective way to improve the electronic property of Sb2S3 films and enhance the performance of Sb2S3 solar cells.
关键词： RF magnetron sputtering,Cu-doping,photovoltaic application,carrier concentration,Sb2S3 solar cells
更新于2025-09-16 10:30:52
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Size-controlled excitonic effects on electronic and optical properties of Sb <sub/>2</sub> S <sub/>3</sub> nanowires
摘要： In this work, the electronic and optical properties of one-dimensional (1D) Sb2S3 nanowires (NWs) with different sizes are investigated using first-principles calculations. The indirect–direct band transition of Sb2S3 NWs can be tuned effectively by the NW size and various uniaxial strains. In the Sb2S3 NWs, the quantum confinement effects result in wider bandgaps while the significantly enhanced electron–hole interaction that is expected to produce excitonic bound states generates a bandgap narrowing. The exciton binding energies for the Sb2S3 NWs are predicted by the effective masses of electrons and holes to lie in the range of 0–1 eV, which are larger than that of bulk Sb2S3, suggesting that excitons in Sb2S3 NWs may bind possible defects to promote luminescence. The size-controlled absorption edge blueshift and redshift of Sb2S3 NWs suggest that Sb2S3 NWs may be promising in the applications of nanoscale light emitting devices.
关键词： optical properties,first-principles calculations,quantum confinement effects,light emitting devices,electronic properties,exciton binding energies,Sb2S3 nanowires
更新于2025-09-16 10:30:52