Computational approach to explore suitable charge transport layers for all inorganic CsGeI3 perovskite solar cells

Tara, Ayush; Bharti, Vishal; Sharma, Susheel; Gupta, Rockey

doi:10.1016/j.optmat.2022.112403

Cited by 31 publications

(7 citation statements)

References 50 publications

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“…Neutral defects are selected for the interface with an energy level of 0.6 eV with respect to the reference value. The different parameters are extracted from the research papers. ,,,,− …”

Section: Introductionsupporting

confidence: 82%

Band Gap-Tailored Two-Terminal Lead-Free Germanium- and Tin-Based Single-Halide Perovskite Materials for Efficient Tandem Solar Cells

et al. 2023

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Metal halide perovskites owing to their excellent band gap tunability have shown great promise in designing two-terminal tandem solar cells to push the limitations of single-junction devices. However, the use of lead in perovskite absorber layers has raised several questions in this field due to the inherent toxic nature of this element. Moreover, most of the wide-band-gap top absorber layers that are used are composed of mixed halides (mixture of iodine and bromine), leading to halide segregation inside the device and affecting its long-term performance. In order to address these issues, the present work focuses on the simulation of a lead-free, single-halide, all-perovskite two-terminal tandem solar cell with its physical understanding in great detail. A total of 4 different absorber layers and 10 different charge transport layers have been evaluated for bringing out the best device performance. Since the band gap of the absorber layers plays a vital role in determining the efficiency of the overall device, this work also contains a brief summary of the band gap tuning of the perovskite crystal via compositional engineering. It has been observed that methylammonium germanium halide (MAGeI3), having a thickness of 930 nm, is used as a top absorber layer when combined with FA0.75Cs0.25SnI3, which is used as a bottom absorber layer having a thickness of 507 nm; the best-performing tandem device has been obtained with a current density matching of 16 mA/cm2 and a PCE of 29.26%, thus showing a lot of potential for future investigations.

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Section: Introductionsupporting

confidence: 82%

Band Gap-Tailored Two-Terminal Lead-Free Germanium- and Tin-Based Single-Halide Perovskite Materials for Efficient Tandem Solar Cells

et al. 2023

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“…In the modeling, the energy levels are aligned according to the UPS results. Detailed parameters are summarized in Table S3. ,− The calculated J – V characteristics show that reducing the perovskite absorber’s CBM– E f gap by 0.13 eV produces a 51 mV gain in V OC , pretty close to the device data. Therefore, the SbX 3 -induced interface dipole is qualitatively and quantitatively responsible for the observed V OC enhancement.…”

supporting

confidence: 59%

Perovskite Solar Cells with an SbX₃ (X = Cl, I) Interface Dipole Layer

Pang

Guo

Chen

et al. 2023

ACS Materials Lett.

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Forming an interface dipole moment pointing from the absorber to the oxide substrate can improve the open-circuit voltage (V OC) of perovskite solar cells (PSCs) without affecting photocurrent. In past studies, however, interface dipole layers were generally formed using organic self-assembled monolayers or polyelectrolytes, which raises concerns about intrinsic stability. Meanwhile, perovskites’ substrate-dependent electronic properties question the apparent correlation between the oxide’s work function and the built-in voltage. In this work, we propose an interface dipole layer based on solution-processable metal halides, which increases the built-in voltage of the n–i–p diode by simultaneously reducing the electron transport layer’s work function and strengthening the n-type characteristics of the perovskite absorber. The n–i–p-structured PSCs with the SbX3 dipole layer achieve substantially enhanced V OC (1.171 V) and power conversion efficiency (23.11%). Further experiments and calculations confirm that the proposed dipole model can explain the V OC enhancement qualitatively and quantitatively.

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“…At the ETL/Absorber contact, the conduction band offset (∆ E C ) plays a significant role in the interfacial recombination of charge carriers. [ 27 ] The ∆ E C obtained for the ETL layer is −0.05 eV, and SCAPS‐1D employs Anderson's model (Equation 1). [ 28 ] The negative ∆ E C causes an energy spike to develop at the ZnSe/Sb 2 Se 3 interface, acting as a barrier to the generated electrons.…”

Section: Resultsmentioning

confidence: 99%

Performance Analysis of CdS‐Free, Sb₂Se₃/ZnSe p–n Junction Cells with Various Hole Transport Layers and Contacts

Kumari,

Mamta,

Chaudhary

et al. 2023

Advcd Theory and Sims

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Sb2Se3, a promising thin‐film photovoltaic (TFPV) absorber material known for its non‐toxic nature, abundance on Earth, and stability has the inherent limitations of low doping density of 1013 cm−3 and poor carrier mobility of 1.5 cm2 V−1 s−1, leading to a low built‐in potential and inefficient carrier collection. To address these challenges and enhance the built‐in potential and carrier collection, an effective hole‐transport layer (HTL), e.g. CdS, which contains toxic components is used. A less‐toxic alternative is explored: ZnSe as the electron‐transport layer (ETL) to mitigate this issue. In this study, the performance is evaluated of Sb2Se3/ZnSe solar cells using six different HTLs (CuSCN, MoSe2, NiO, Spiro‐OMeTAD, SnS, MoOx) through the utilization of the SCAPS‐1D modeling tool. The HTL plays a critical role in improving the effectiveness of the built‐in potential, enhancing carrier collection, and suppressing back surface recombination. The analysis involves varying the thickness and doping concentration of the absorber, buffer, and HTLs, and exploring the impact of temperature, series and shunt resistance, and the metal work function of the back contact. Among the tested devices, the one with NiO as the HTL demonstrates the highest efficiency, exhibiting a VOC (open‐circuit voltage) of 0.81 V and a PCE (power conversion efficiency) of 24.07%.

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Computational approach to explore suitable charge transport layers for all inorganic CsGeI3 perovskite solar cells

Cited by 31 publications

References 50 publications

Band Gap-Tailored Two-Terminal Lead-Free Germanium- and Tin-Based Single-Halide Perovskite Materials for Efficient Tandem Solar Cells

Band Gap-Tailored Two-Terminal Lead-Free Germanium- and Tin-Based Single-Halide Perovskite Materials for Efficient Tandem Solar Cells

Perovskite Solar Cells with an SbX₃ (X = Cl, I) Interface Dipole Layer

Performance Analysis of CdS‐Free, Sb₂Se₃/ZnSe p–n Junction Cells with Various Hole Transport Layers and Contacts

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Computational approach to explore suitable charge transport layers for all inorganic CsGeI3 perovskite solar cells

Cited by 31 publications

References 50 publications

Band Gap-Tailored Two-Terminal Lead-Free Germanium- and Tin-Based Single-Halide Perovskite Materials for Efficient Tandem Solar Cells

Band Gap-Tailored Two-Terminal Lead-Free Germanium- and Tin-Based Single-Halide Perovskite Materials for Efficient Tandem Solar Cells

Perovskite Solar Cells with an SbX3 (X = Cl, I) Interface Dipole Layer

Performance Analysis of CdS‐Free, Sb2Se3/ZnSe p–n Junction Cells with Various Hole Transport Layers and Contacts

Contact Info

Product

Resources

About

Perovskite Solar Cells with an SbX₃ (X = Cl, I) Interface Dipole Layer

Performance Analysis of CdS‐Free, Sb₂Se₃/ZnSe p–n Junction Cells with Various Hole Transport Layers and Contacts