Theoretical modelling and device structure engineering of kesterite solar cells to boost the conversion efficiency over 20%

Mora-Herrera, D.; Pal, Mou; Santos‐Cruz, J.

doi:10.1016/j.solener.2021.03.056

Cited by 24 publications

(16 citation statements)

References 57 publications

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“…Semiconductor alloys are attractive for this purpose as they provide a natural means of tuning the band gap energy and other electronic properties for their application in specific solid-state devices. The E g of ZnO 1– x S x (ZOS) and consequently, the Δ E C at the FASnI 3 /ZOS interface can be tuned by adjusting the O/S atomic ratio as reported in our previous work, where we have demonstrated a quadratic trend in the electrical and optical properties (μ n , N D , E g , and χ) through the partial replacement of O atoms by S . The incorporation of ZnO 0.2 S 0.8 conserves a suitable E g and χ, with Δ E C of +0.25 eV, which is in the range of optimum band offset between perovskite and ETL layers.…”

Section: Resultssupporting

confidence: 52%

“…From Table 8, we can observe that although the χ of ZnSe is similar to that of TiO 2 , ZnSe exhibits a slightly higher PCE than TiO 2 because of their larger carrier mobility. In the case of ZnO, a ΔE C of +0.15 eV suggests a favorable spike formation at the 65 The incorporation of ZnO 0.2 S 0.8 conserves a suitable E g and χ, with ΔE C of +0.25 eV, which is in the range of optimum band offset between perovskite and ETL layers. SnO 2 and WO 3 provide a superior PCE among all the proposed ETL materials, because of the adequate ΔE C of +0.19 and +0.24 eV, respectively.…”

Section: Alternative Back Metal Contactmentioning

confidence: 95%

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Path toward the Performance Upgrade of Lead-Free Perovskite Solar Cells Using Cu₂ZnSn_1–xGe_xS₄ as a Hole Transport Layer: A Theoretical Simulation Approach

Mora-Herrera¹,

Pal²

2022

J. Phys. Chem. C

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Recently, formamidinium tin iodide (CH(NH2)2SnI3, FASnI3) perovskite has emerged as a promising candidate for lead-free perovskite solar cells. However, a limited power conversion efficiency (PCE) was achieved when the conventional TiO2 and Spiro-OMeTAD were selected as the electron transport layer and hole transport layer (ETL/HTL), respectively. By employing numerical modeling of the FTO/TiO2/FASnI3/Spiro-OMeTAD/Au heterostructure, we noticed that the conduction-band offset (ΔE C) between TiO2/perovskite and valence-band offset (ΔE V) between perovskite/Spiro-OMeTAD layers are suboptimal, resulting in limited PCE. To overcome this shortcoming, we replace WO3 and inorganic Cu2ZnSn1–x Ge x S4 (CZTGS) as the ETL and HTL, respectively, which dramatically improves the PCE by creating a suitable ΔE C and ΔE V. This behavior has been investigated by the simulation using impedance spectroscopy, revealing that the high V OC and PCE are attributed to the relatively large recombination resistance (R rec) at the CZTGS/perovskite interface. Further enhancement in PCE has been attained by replacing the MoO x :Au composite for the Au back contact. Considering the paramount importance of electronic levels of the active layer in device physics, we further optimize the band gap and electron affinity of the FASnI3 layer and study the corresponding changes in solar cell parameters. The combined effect of material simulation on the modified device exhibited an inspiring PCE of 17.1% and V OC of 0.75 V, which are mainly attributed to the correct energy level alignment at different heterojunctions and suitable work function of the alternative back contact.

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Section: Resultssupporting

confidence: 52%

Section: Alternative Back Metal Contactmentioning

confidence: 95%

Path toward the Performance Upgrade of Lead-Free Perovskite Solar Cells Using Cu₂ZnSn_1–xGe_xS₄ as a Hole Transport Layer: A Theoretical Simulation Approach

Mora-Herrera¹,

Pal²

2022

J. Phys. Chem. C

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“…The work functions of Cu, Ag, and Al are 4.70 eV, 4.78 eV and 4.28 eV, respectively [2,47,48] . The work function of CZTS and ITO are about 5.6 eV and 5.25 eV, respectively [49] . The band bending at the Al/CZTS interface is large as compared to Cu/CZTS and Ag/CZTS interface due to large difference in work function of Al and CZTS [9] .…”

Section: Resultsmentioning

confidence: 99%

“…[2,47,48] The work function of CZTS and ITO are about 5.6 eV and 5.25 eV, respectively. [49] The band bending at the Al/ CZTS interface is large as compared to Cu/CZTS and Ag/CZTS interface due to large difference in work function of Al and CZTS. [9] Thus, with applying positive voltage on the Cu/Ag top electrode, the built-in field of CZTS/ITO interface starts narrowing and at Cu (or Ag)/CZTS interface start widening.…”

Section: Electrical Characterizationmentioning

confidence: 98%

Impact of Top Electrodes (Cu, Ag, and Al) on Resistive Switching behaviour of Cu‐rich Cu₂ZnSnS₄ (CZTS) Ideal Kesterite

Kumar Yadav,

Prakash,

Pandey

et al. 2023

ChemPhysChem

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Cu2ZnSnS4 (CZTS) active material‐based resistive random‐access memory (RRAM) devices are investigated to understand the impact of three different Cu, Ag, and Al top electrodes. The dual resistance switching (RS) behaviour of spin coated CZTS on ITO/Glass is investigated up to 102 cycles. The stability of all the devices (Cu/CZTS/ITO, Ag/CZTS/ITO, and Al/CZTS/ITO) is investigated up to 103 sec in low‐ (LRS) and high‐ (HRS) resistance states at 0.2 V read voltage. The endurance up to 102 cycles with 30 msec switching width shows stable write and erase current. Weibull cumulative distribution plots suggest that Ag top electrode is relatively more stable for set and reset state with 33.61 and 25.02 shape factors, respectively. The charge carrier transportation is explained by double logarithmic plots, Schottky emission plots, and band diagrams, substantiating that at lower applied electric field intrinsic copper ions dominate in Cu/CZTS/ITO, whereas, at higher electric filed, top electrodes (Cu and Ag) dominate over intrinsic copper ions. Intrinsic Cu+ in CZTS plays a decisive role in resistive switching with Al electrode. Further, the impedance spectroscopy measurements suggest that Cu+ and Ag+ diffusion is the main source for the resistive switching with Cu and Ag electrodes.

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“…However, the parameter FF drops weakly as the high carrier concentration at the back of the cell shortens the lifetime of the minority. [ 90 ] The acceptor concentration in the absorber layer is varied from

\left(10\right)^{14}

\left(10\right)^{17} \left(\text{ cm}\right)^{- 3}

. To balance the result, the optimizing value is

\left(10\right)^{16} \left(\text{ cm}\right)^{- 3}

.…”

Section: Metal Sulfide Buffer Layer Of Czts Solar Cellmentioning

confidence: 99%

Modeling of Copper Zinc Tin Sulfide Solar Cells with Various Buffers Using SCAPS‐1D

Zhang,

Chan,

2023

Physica Status Solidi (b)

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Recently, researchers have shown a strong interest in research on quaternary semiconductor copper zinc tin sulfide (CZTS) photovoltaic cells. These cells have a high absorption coefficient, a direct bandgap, and excellent electrical properties. However, the toxicity of cadmium (Cd) in the cadmium sulfide (CdS) buffer layer in standard CZTS solar cells, can generate severe environmental contamination that is hazardous to humans. As a result, building a Cd‐free CZTS solar cell is critical. Meanwhile, given that the peak power conversion efficiency of CZTS solar cells stands at a modest 11%, this study is dedicated to identifying an optimal approach for replacing the environmentally hazardous CdS layers to enhance overall efficiency. SCAPS‐1D is a one‐dimensional solar cell simulation program commonly used to examine proposed solar cells without building them. This study highlights the performance of CZTS with various nontoxic buffer layers, as well as the key results obtained through numerical research with SCAPS‐1D.

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Theoretical modelling and device structure engineering of kesterite solar cells to boost the conversion efficiency over 20%

Cited by 24 publications

References 57 publications

Path toward the Performance Upgrade of Lead-Free Perovskite Solar Cells Using Cu₂ZnSn_1–xGe_xS₄ as a Hole Transport Layer: A Theoretical Simulation Approach

Path toward the Performance Upgrade of Lead-Free Perovskite Solar Cells Using Cu₂ZnSn_1–xGe_xS₄ as a Hole Transport Layer: A Theoretical Simulation Approach

Impact of Top Electrodes (Cu, Ag, and Al) on Resistive Switching behaviour of Cu‐rich Cu₂ZnSnS₄ (CZTS) Ideal Kesterite

Modeling of Copper Zinc Tin Sulfide Solar Cells with Various Buffers Using SCAPS‐1D

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Theoretical modelling and device structure engineering of kesterite solar cells to boost the conversion efficiency over 20%

Cited by 24 publications

References 57 publications

Path toward the Performance Upgrade of Lead-Free Perovskite Solar Cells Using Cu2ZnSn1–xGexS4 as a Hole Transport Layer: A Theoretical Simulation Approach

Path toward the Performance Upgrade of Lead-Free Perovskite Solar Cells Using Cu2ZnSn1–xGexS4 as a Hole Transport Layer: A Theoretical Simulation Approach

Impact of Top Electrodes (Cu, Ag, and Al) on Resistive Switching behaviour of Cu‐rich Cu2ZnSnS4 (CZTS) Ideal Kesterite

Modeling of Copper Zinc Tin Sulfide Solar Cells with Various Buffers Using SCAPS‐1D

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Path toward the Performance Upgrade of Lead-Free Perovskite Solar Cells Using Cu₂ZnSn_1–xGe_xS₄ as a Hole Transport Layer: A Theoretical Simulation Approach

Path toward the Performance Upgrade of Lead-Free Perovskite Solar Cells Using Cu₂ZnSn_1–xGe_xS₄ as a Hole Transport Layer: A Theoretical Simulation Approach

Impact of Top Electrodes (Cu, Ag, and Al) on Resistive Switching behaviour of Cu‐rich Cu₂ZnSnS₄ (CZTS) Ideal Kesterite