Impact of zinc structural on the photovoltaic Properties of iron Pyrite

In this manuscript, we study the grouping of bands and optical properties of p-type ZnS_2 pyrite, which helps us in the study of crystal p-type ZnS_2 pyrite and its impact in organic photovoltaic cells. Our work has two approaches one theorical where we find the band structure of p-type ZnS_2 by using linear muffin-tin orbital method in the atomic-sphere approximation (LMTO-ASA), the second approach is the experimental where we prepare the crystals by chemical vapor transport. Our sample was examined by XRD and optical characterizations. Our results show that the p-type ZnS_2 pyrite is a direct semiconductor with optical gap about 1.610 eV and calculated gap about 1.550 eV. In closing, we present an application of our work to photovoltaic devises.

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“…Figure 2 shows the XRD peaks at q 2 angles 25.81, 29 ) and distance Sulfur -Sulfur. We obtained the optical bandgap by Tauc's equation a n…”

Section: Methodsmentioning

confidence: 99%

“…Regenerative energy can also be produced using alloys of ZnS 2 with Fe. We obtained in last work noteworthy experimental and theoretical results [29], which is motivation to better understand ZnS 2 pyrite structure.…”

Section: Introductionmentioning

confidence: 93%

A new study of the optical and structural characterization properties of p-type ZnS₂ pyrite with an application in solar energy

Sai

Alghamdi

AbuMousa

et al. 2023

Mater. Res. Express

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“…[ 50 ]. In our recent work [ 51 ], we showed that Zinc alloyed iron pyrite able to enlarge band gap for small quantities of zinc. The band gap of

pyrite increases to 1.15 eV by theoretical calculation and to 1.16 eV using experimental method by just adding 1% of Zinc.…”

Section: Introductionmentioning

confidence: 99%

Impact of alloying iron pyrite by ruthenium on its band gap values and its insight to photovoltaic performance

Alghamdi,

Sai

2023

Heliyon

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Phase‐Pure Iron Pyrite Nanocrystals as Air‐Stable Hole‐Transport Materials for Low‐Cost Perovskite Solar Cells

Sharma,

Yang,

et al. 2024

Energy Tech

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Spiro‐OMeTAD is a commonly used organic hole‐transport material (HTM) in MAPbI3‐based perovskite solar cells (PSCs) for achieving high efficiency. However, its hydrophilic nature compromises device stability and performance reproducibility, especially under ambient conditions. In this study, PSCs are fabricated under ambient conditions, and phase‐pure iron pyrite nanocrystals (FeS2 NCs) are synthesized and utilized as HTM. Using iron pyrite as the HTM leads to a 22% increase in device short‐circuit current density (JSC) compared to Spiro‐OMeTAD, resulting in enhanced PSC performance. This confirms FeS2 NCs as a promising HTM for PSCs. Iron pyrite improves the extraction of photogenerated charge carriers compared to Spiro‐OMeTAD, indicating a superior extraction layer. Furthermore, the longer stability of the iron pyrite layer under humid conditions is compared to the Spiro‐OMeTAD layer, as demonstrated by contact angle measurements. This improvement helps prevent humidity‐induced degradation of the perovskite layer. Transient photocurrent studies under reverse bias conditions reveal fewer defects at the perovskite/iron pyrite interface, suggesting a defect passivation effect of FeS2 NCs. This study demonstrates that iron pyrite can serve as an effective HTM to enhance the performance and stability of low‐cost PSCs fabricated under ambient conditions.

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Impact of zinc structural on the photovoltaic Properties of iron Pyrite

Cited by 5 publications

References 47 publications

A new study of the optical and structural characterization properties of p-type ZnS₂ pyrite with an application in solar energy

A new study of the optical and structural characterization properties of p-type ZnS₂ pyrite with an application in solar energy

Impact of alloying iron pyrite by ruthenium on its band gap values and its insight to photovoltaic performance

Phase‐Pure Iron Pyrite Nanocrystals as Air‐Stable Hole‐Transport Materials for Low‐Cost Perovskite Solar Cells

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Impact of zinc structural on the photovoltaic Properties of iron Pyrite

Cited by 5 publications

References 47 publications

A new study of the optical and structural characterization properties of p-type ZnS2 pyrite with an application in solar energy

A new study of the optical and structural characterization properties of p-type ZnS2 pyrite with an application in solar energy

Impact of alloying iron pyrite by ruthenium on its band gap values and its insight to photovoltaic performance

Phase‐Pure Iron Pyrite Nanocrystals as Air‐Stable Hole‐Transport Materials for Low‐Cost Perovskite Solar Cells

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A new study of the optical and structural characterization properties of p-type ZnS₂ pyrite with an application in solar energy

A new study of the optical and structural characterization properties of p-type ZnS₂ pyrite with an application in solar energy