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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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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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Intrinsic Defect Limit to the Electrical Conductivity and a Two‐Step p‐Type Doping Strategy for Overcoming the Efficiency Bottleneck of Sb <sub/>2</sub> S <sub/>3</sub> ‐Based Solar Cells
摘要： The photovoltaic efficiency increase of Sb2S3-based solar cells has stagnated for five years since the highest efficiency 7.5% was achieved in 2014 [Adv. Funct. Mater. 24, 3587]. One important bottleneck is the high electrical resistivity of Sb2S3. Our first-principles calculations reveal that the high resistivity results from the compensation between the intrinsic donor VS and acceptors VSb, SbS, SSb which have comparably high concentration (low formation energy). The compensation also limits the improvement of conductivity through direct extrinsic doping. Further calculations of O dopants show that OS has a low formation energy, so the dominant intrinsic donor VS can be passivated by O and thus the p-type doping limit imposed by VS can be overcame. Meanwhile, other p-type limiting and recombination-center donor defects can be suppressed under the S-rich condition, which explains why the highest efficiency was achieved in O-doped Sb2S3 after sulfurization. Given the unexpected beneficial effects of O doping and sulfurization, a two-step doping strategy is proposed for overcoming the efficiency bottleneck: (i) use O to passivate the VS and S-rich condition to suppress other detrimental defects, making p-type doping feasible and minority carrier lifetime long; (ii) introduce other p-type dopants to increase hole carrier concentration.
关键词： first-principles,photovoltaic,O doping,Sb2S3 solar cell,point defect
更新于2025-09-12 10:27:22