Setting the baseline for the modelling of Kesterite solar cells: The case study of tandem application

Jiménez‐Arguijo, Alex; Medaille, Axel Gon; Navarro-Güell, Alejandro; Jimenez-Guerra, Maykel; Tiwari, Kunal J.; Placidi, Marcel; Mkehlane, Moleko Samuel; Iwuoha, Emmanuel I.; Pérez-Rodrı́guez, A.; Saucedo, Edgardo; Giraldo, Sergio; Jehl, Zacharie

doi:10.1016/j.solmat.2022.112109

Cited by 6 publications

(10 citation statements)

References 36 publications

(65 reference statements)

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“…Therefore, for a Cu-Zn defect grading profile to improve the PCE of a CZTSe-based device, a reduced recombination center, to at least less than 10 15 cm -3 (corresponding to a lifetime of 1.1 ns and a diffusion length of 330 nm), needs to be achieved. The reader can verify this claim by implementing the doping gradient to the SCAPS-1D baseline provided in [1]. Nevertheless, as discussed previously, the minority carrier lifetime of CZTSe should not be strongly affected by a soft PDT.…”

Section: Hosted Filementioning

confidence: 74%

“…Therefore, this work showcases the robustness of the SCAPS-1D model of our group to investigate the effects of changes in parameters that are usually not experimentally accessible, as in the case of this study. [1] Nevertheless, several approximations were made throughout this work and should be discussed. First of all, the gradient in doping is assumed to be linear throughout the absorber layer.…”

Section: Discussionmentioning

confidence: 99%

“…Before exploring the experimental behavior, SCAPS-1D J-V curves are calculated using a quasi-quantitative device baseline developed in our group [1], and based on the champion device from [23], with implemented bulk and interface non-radiative recombination using parameters from the literature, and the defect concentration being the only floating parameter. The modelled J-V characteristics and EQE spectra (under AM1.5G conditions) are presented in Figure 2 .…”

Section: Device Modelling: J-v Curves and Eqe Spectramentioning

confidence: 99%

“…Illuminated J-V curves and EQE spectra were calculated by using the drift-diffusion program (SCAPS-1D) [29]. The device structure, material parameters, and recombination center properties are obtained from a single fabrication process and its reliability is tested and published elsewhere [1], [23]. To explore the effects of a linear doping gradient at the absorber layer (from back contact to front contact) a linear shallow doping gradient is implemented in the CZTSe layer (from 10 15 to 10 17 cm -3 will be labeled as the pto p profile and vice versa, 10 17 to 10 15 cm -3 , for the p to p -).…”

Section: Device Modellingmentioning

confidence: 99%

“…Cu 2 ZnSnSe 4 (CZTSe) is a non-toxic material, constituted by earth-abundant elements and presenting high absorption coefficients (>10 4 cm 3 ), qualifying as an exceptional candidate for mass production of Thin-Film Solar Cells (TFSC) for Building and Product Integrated Photovoltaics (BIPV and PIPV), as well as a bottom cell in tandem solar cells [1], [2]. Currently, the kesterite/CZTSe family is one of the most promising TFSC technology despite the stalling power conversion efficiencies (PCE) throughout the last decade.…”

Section: Introductionmentioning

confidence: 99%

See 4 more Smart Citations

Gradient Doping in Cu 2 ZnSnSe 4 by Temperature and Potential Induced Defect Steering

Jiménez‐Arguijo

Cano

Atlan

et al. 2023

Preprint

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Kesterite materials are among the most promising emerging photovoltaic absorbers, despite the number of challenging issues this technology presents. The use of soft thermal post-deposition treatments (PDT) is key to improving the CdS/kesterite interface quality. Thermal treatments can result in a low-temperature phase transition which affects the optoelectronic properties. In this work, the effects of applied voltage during a full device thermal PDT above the critical temperature of the phase transition are explored. The applied voltage modifies the formation energy and drives in-depth migration of ionized defects, which can generate a shallow doping density gradient (SDDG). Supporting the experimental findings, the effects of an SDDG on the current-voltage curves and the external quantum efficiency are modelled using drift-diffusion calculations. The presence of bulk recombination centers in the modelling is a key aspect to precisely reproduce the experimental results. The SDDG in opposite directions precisely matches the experimental results for opposite voltage polarizations. The effects on the band structure of the device are presented proving this as a promising strategy for improving charge carrier selectivity. In this sense, the results and their thorough physical interpretation will potentially open new perspectives in the field of materials engineering.

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Section: Hosted Filementioning

confidence: 74%

Section: Discussionmentioning

confidence: 99%

Section: Device Modelling: J-v Curves and Eqe Spectramentioning

confidence: 99%

Section: Device Modellingmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 3 more Smart Citations

Gradient Doping in Cu 2 ZnSnSe 4 by Temperature and Potential Induced Defect Steering

Jiménez‐Arguijo

Cano

Atlan

et al. 2023

Preprint

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Machine‐Learning Aided First‐Principles Prediction of Earth‐Abundant Pnictogen Chalcohalide Solid Solutions for Solar‐Cell Devices

López,

Caño,

Rovira

et al. 2024

Adv Funct Materials

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Discovering novel families of materials composed of earth‐abundant elements and characterized by non‐toxicity, high thermodynamic stability, and simple low‐temperature synthesis processes, is paramount for the advancement of urgently needed energy storage and conversion technologies. Pnictogen chalcohalides, represented by the general formula ABC (A = Bi, Sb; B = S, Se; C = I, Br), emerge as a promising class of energy materials particularly well‐suited for photovoltaic applications. However, the compositional landscape of BixSb1 − xSySe1 − yIzBr1 − z is vast and remains largely unexplored, with traditional experimental and theoretical exploration techniques facing limitations in covering the entire solid‐solution range due to their labor‐intensive and time‐consuming nature. Here, an integrated bottom‐up approach that combines first‐principles calculations, machine learning models, experiments, and device optimizations is introduced to provide a comprehensive fundamental understanding of pnictogen chalcohalides with arbitrary composition and to expedite the design of high‐performance multi‐junction solar cells. The synergistic investigations unveil a broad and continuous spectrum of bandgaps and optical absorption coefficients ranging from 1.2 to 2.1 eV and from 2.5 · 105 to 6.6 · 105 cm−1, respectively, across a wide variety of thermodynamically stable compounds. Additionally, a tandem BiSBr–BiSeI device is identified as an optimal multi‐junction solar cell, exhibiting a maximum short‐circuit current density of 18.65 mA cm−2 under intensity‐matching conditions. The introduced bottom‐up materials design approach may facilitate an unprecedented and rapid translation of basic knowledge into the most demanded solar cell applications.

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Photonic Crystal Beam Splitter Electrode in Kesterite Tandem Solar Cells: A Numerical Approach

Sánchez‐Lanuza,

Lillo‐Bravo,

Lopez‐Alvarez

et al. 2024

Physica Status Solidi (a)

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The majority of numerical research on kesterite tandem solar cells has predominantly focused on a two‐terminal (2T) configuration that utilizes an ideal tunnel junction. Herein, the performance of kesterite tandem solar cells by introducing a photonic crystal structure (1DPC) as intermediate layer in both three‐terminal (3T) and four‐terminal (4T) configurations is investigated. The photonic crystal (1DPC) is designed by stacking ITO and SiO2 layers with the terminal layer consisting of NiO. Optical properties of the 1DPC are modeled. This innovative approach offers several advantages. 1) The 1DPC selectively reflects lower wavelengths, effectively enhancing the short‐circuit current density (Jsc) of the top subcell, while the solar irradiance spectrum at higher‐wavelength optimum for the subcell is not affected. 2) The 1DPC serves as an intermediate electrode, needed for the 3T or 4T configuration. 3) Replacing the conventional Mo back contact with a NiO layer significantly boosts the open‐circuit voltage (Voc) of the top subcell. The findings demonstrate that these configurations exhibit higher performance compared to previously reported results. Furthermore, the utilization of 3T and 4T configurations, incorporating the 1DPC as an electrical beam splitter, provides an effective and accurate design compared to the 2T configuration using ideal tunnel junctions.

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Setting the baseline for the modelling of Kesterite solar cells: The case study of tandem application

Cited by 6 publications

References 36 publications

Gradient Doping in Cu 2 ZnSnSe 4 by Temperature and Potential Induced Defect Steering

Gradient Doping in Cu 2 ZnSnSe 4 by Temperature and Potential Induced Defect Steering

Machine‐Learning Aided First‐Principles Prediction of Earth‐Abundant Pnictogen Chalcohalide Solid Solutions for Solar‐Cell Devices

Photonic Crystal Beam Splitter Electrode in Kesterite Tandem Solar Cells: A Numerical Approach

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