Comparative study of optical properties of substitutionally doped La2NiMnO6 double perovskite ceramic: A potential candidate for solar cells and dielectrics

Najar, Feroz A.; Abass, Shohaib; Sultan, Khalid; Kharadi, Mubashir A.; Malik, Gul Faroz A.; Samad, Rubiya

doi:10.1016/j.physb.2021.413311

Cited by 24 publications

(10 citation statements)

References 8 publications

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“…76 Ytterbium and calcium-doped LNMO double perovskites have recently undergone extensive optical analysis, along with subsequent alterations for SC applications. 77 Therefore, in order to evaluate the LNMO material for photovoltaic applications, its optical properties of absorption coefficient, reflectivity, and loss function must be explored in detail. Among these functions, the optical absorption coefficient α(ω) is an important factor in recognizing the light absorption capacity of a structure and consequently proposes considerable proof for the SC.…”

Section: Dft Results Analysis 311 Structural Properties Of the Lamentioning

confidence: 99%

Design Insights into La₂NiMnO₆-Based Perovskite Solar Cells Employing Different Charge Transport Layers: DFT and SCAPS-1D Frameworks

et al. 2023

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Nontoxic and inorganic lead-free double perovskite La2NiMnO6 (LNMO) has achieved tremendous attention as an absorber layer of a solar cell (SC) structure due to its outstanding optoelectronic properties to support photovoltaic (PV) applications. In order to check the feasibility of LNMO as a potential SC absorber material, the structural, electronic, and optical properties of LNMO are computed within the realm of density functional theory (DFT). The computed energy band diagram confirms that LNMO is a degenerate semiconductor with an indirect band gap (E g) of ∼0.58 eV. In addition, the density of states (DOS) implies that the d-orbital electron of Mn and Ni elements and p-orbitals of O elements contributed significantly to the electronic conductivity of the material. The electronic charge density map and Mulliken population analyses manifest robust electronic charge accumulation around the O atom and the strong covalent bonding nature of Ni–O and Mn–O bonds, respectively. The strong absorption peaks in the infrared (20.0 eV), visible (2.6 eV), and near-ultra-violet (7 eV) regions reflect the true potential of LNMO as a PV material. Furthermore, the SCAPS-1D simulation tool is used to investigate the best-optimized electron transport layer (ETL)/LNMO/hole transport layer (HTL) SC configurations where PCBM, ZnO, C60, and WS2 are used as ETLs, while CuSCN, NiO, P3HT, PEDOT:PSS, ZnO, and CuSCN are used as HTLs. The WS2/LNMO/CFTS solar structure exhibited the best power conversion efficiency (PCE) of ∼20.18% among 24 different solar device combinations. The four best SC configurations are chosen for PV performance analysis through a variation in the ETL and absorber layer thicknesses. Furthermore, the impact of the variation of the series and shunt resistances of these SC structures are investigated. For deeper insights, the C–V plots, generation and recombination rates, J–V curves, and quantum efficiency plots are analyzed for the investigated configurations.

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Section: Dft Results Analysis 311 Structural Properties Of the Lamentioning

confidence: 99%

Design Insights into La₂NiMnO₆-Based Perovskite Solar Cells Employing Different Charge Transport Layers: DFT and SCAPS-1D Frameworks

et al. 2023

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“…[13] Najar et al have reported optical properties of LNMO with the substitutional doping of lanthanum manganate oxide and confirmed that optical bandgap of the material in varies from the electronic bandgap due to excitonic effects. [14] Sheikh et al have reported the theoretical DFT calculations and experimental work on Sm 2 NiMnO 6 double perovskite which is almost similar kind of materials as of LNMO and show properties for solar applications. [15] They have synthesized Sm 2 NiMnO 6 by sol-gel method and confirmed the narrow band gap (∼1.41 eV) which may be very useful in photovoltaic applications.…”

Section: Introductionmentioning

confidence: 99%

Effect of Series Resistance and Temperature on PCE of Double Perovskite La₂NiMnO₆‐Based PSC

Raj

Kumar

et al. 2023

Macromolecular Symposia

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In the present work, lead-free double perovskite material La 2 NiMnO 6 is used as a light-harvesting layer in device configuration of FTO/TiO 2 /LNMO/CuI/Au and simulates through solar cell capacitance simulator (SCAPS-1D). The series resistance and operating temperature are varied from 0 to 6 𝛀 and 250 to 350 K respectively to investigate the device output under ambient atmospheric conditions. The designed perovskite solar cell (PSC) based device helps to optimize the chemical and physical parameter of PSC during the fabrication. The present study exhibits that the developed device can show maximum power conversion efficiency (PCE) of 23.07% at the device approach to zero resistance and further, at operation temperature 250 K the device has shown superior PCE 26.79%.

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Section: Introductionmentioning

confidence: 99%

“…[2] Due to lanthanum manganate oxides (LMNO)'s chemical flexibility, versatility, and indispensable properties like high ferromagnetic curie temperature, high absorption rates, dielectrics, etc., there is plenty of room for the further exploration of the said material in other applications such as spintronics and optoelectronics. [3,4] D. Yang et al [5] reported that the biphasic nature of LMNO comes from a smaller difference in the formation enthalpies and spontaneous sheer strains between the monoclinic and rhombohedral phases. D. J. Singh et al [6] with the help of density functional theory (DFT) calculations proposed a mechanism for polar behavior in magnetic perovskites based on A site disorder and demonstrated the combination of polar behavior and ferromagnetism in case of LaLuMnNiO 6 double perovskite.…”

Section: Introductionmentioning

confidence: 99%

Dielectric Behavior and Spontaneous Polarization as a Consequence of Berry Quantum Phase Effect: The case of La₂NiMnO₆ Double Perovskite—A New Approach to Polarization

Najar

Samad

Sultan

et al. 2022

Physica Status Solidi (b)

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Transition metal oxides have been the materials of interest in modern‐day science and technology. Among these materials, double perovskites have been studied very often. To explore such types of oxides and to provide a better understanding especially about lanthanum manganates, herein, the system of La2NiMnO6 is investigated, which exists in two phases, viz., monoclinic and rhombohedral via density functional theory. So far, the monoclinic phase which usually exists at low temperatures has been probed a lot; however, very little information is available about the rhombohedral phase and thus needs to be investigated. Herein, the rhombohedral phase of the material is simulated and various properties like band structure, electronic distribution of states, and absorption within the material are investigated. The study of the complex dielectric nature of the material and its refractive index with frequency variations of the incident field is also presented. The self‐interactions have been taken care‐off taking the Hubbard parameter into account. The spontaneous polarization for the first time as a berry phase using a quantum mechanical approach has also been calculated. The high dielectric constant at visible frequencies ensures the potential use of this material in the case of storage devices.

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Comparative study of optical properties of substitutionally doped La2NiMnO6 double perovskite ceramic: A potential candidate for solar cells and dielectrics

Cited by 24 publications

References 8 publications

Design Insights into La₂NiMnO₆-Based Perovskite Solar Cells Employing Different Charge Transport Layers: DFT and SCAPS-1D Frameworks

Design Insights into La₂NiMnO₆-Based Perovskite Solar Cells Employing Different Charge Transport Layers: DFT and SCAPS-1D Frameworks

Effect of Series Resistance and Temperature on PCE of Double Perovskite La₂NiMnO₆‐Based PSC

Dielectric Behavior and Spontaneous Polarization as a Consequence of Berry Quantum Phase Effect: The case of La₂NiMnO₆ Double Perovskite—A New Approach to Polarization

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Comparative study of optical properties of substitutionally doped La2NiMnO6 double perovskite ceramic: A potential candidate for solar cells and dielectrics

Cited by 24 publications

References 8 publications

Design Insights into La2NiMnO6-Based Perovskite Solar Cells Employing Different Charge Transport Layers: DFT and SCAPS-1D Frameworks

Design Insights into La2NiMnO6-Based Perovskite Solar Cells Employing Different Charge Transport Layers: DFT and SCAPS-1D Frameworks

Effect of Series Resistance and Temperature on PCE of Double Perovskite La2NiMnO6‐Based PSC

Dielectric Behavior and Spontaneous Polarization as a Consequence of Berry Quantum Phase Effect: The case of La2NiMnO6 Double Perovskite—A New Approach to Polarization

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Product

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Design Insights into La₂NiMnO₆-Based Perovskite Solar Cells Employing Different Charge Transport Layers: DFT and SCAPS-1D Frameworks

Design Insights into La₂NiMnO₆-Based Perovskite Solar Cells Employing Different Charge Transport Layers: DFT and SCAPS-1D Frameworks

Effect of Series Resistance and Temperature on PCE of Double Perovskite La₂NiMnO₆‐Based PSC

Dielectric Behavior and Spontaneous Polarization as a Consequence of Berry Quantum Phase Effect: The case of La₂NiMnO₆ Double Perovskite—A New Approach to Polarization