Ferromagnetic alloy for high-efficiency photovoltaic conversion in solar cells: first-principles insights when doping SnO<sub>2</sub> rutile with coupled Eu–Gd

Lamrani, A. Fakhim

doi:10.1039/d1ra00088h

Cited by 9 publications

(7 citation statements)

References 59 publications

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“…The high value of the absorption coefficient in the ultraviolet region contributes to an extremely efficient photon conversion process, which means that a quantum cut may be observed in the systems co-doped with transition metals. 17,54,55 This result provides a new idea for developing and using SnO 2 -based optics.…”

Section: Resultsmentioning

confidence: 86%

“…SnO 2 co-doped with rare earth elements (Eu, Gd) demonstrates that this ferromagnetic alloy can absorb up to 96% in the visible light range and it can convert heat energy into electricity efficiently at room temperature. 17 The efficiency of a thermoelectric material in converting heat into electrical energy is dened by the gure of merit, where S is the Seebeck coefficient, s the electrical conductivity, K the total thermal conductivity and T the absolute temperature. [18][19][20][21][22][23][24][25][26] The charge carrier concentration and mobility control both the Seebeck coefficient and the electrical conductivity.…”

Section: Introductionmentioning

confidence: 99%

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Electronic, magnetic, optical and thermoelectric properties of co-doped Sn_1−2xMn_xA_xO₂(A = Mo, Tc): a first principles insight

et al. 2022

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Section: Resultsmentioning

confidence: 86%

Section: Introductionmentioning

confidence: 99%

Electronic, magnetic, optical and thermoelectric properties of co-doped Sn_1−2xMn_xA_xO₂(A = Mo, Tc): a first principles insight

et al. 2022

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“…Here, we have used spin-polarized calculations to provide a comprehensive assessment of the electronic structures of the range of investigated perovskites, characterize their magnetic properties, and evaluate their capacity to be applied in PSCs and Per-SCs. Since ferromagnetic materials have shown significant potential to absorb a meaningful amount of visible light, their integration into solar cells may improve the efficiency of these devices [41].…”

Section: Electronic and Magnetic Propertiesmentioning

confidence: 99%

“…Perovskite oxides with wide band gaps exceeding 2 eV have been utilized as CTLs and TCE in solar cells [29][30][31][32][33][34][35], whereas metallic compounds are widely utilized in PSCs and Per-SCs, for example, as absorbents in the active layer [36][37][38][39][40]. Research has also indicated that the utilization of magnetic materials as absorbents in the active layer of solar cells could potentially enhance their performance [41].…”

Section: Introductionmentioning

confidence: 99%

A Density Functional Theory Study of the Physico-Chemical Properties of Alkali Metal Titanate Perovskites for Solar Cell Applications

Jouybar,

Naji,

Sarabadani Tafreshi

et al. 2024

Molecules

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The urgent need to shift from non-renewable to renewable energy sources has caused widespread interest in photovoltaic technologies that allow us to harness readily available and sustainable solar energy. In the past decade, polymer solar cells (PSCs) and perovskite solar cells (Per-SCs) have gained attention owing to their low price and easy fabrication process. Charge transport layers (CTLs), transparent conductive electrodes (TCEs), and metallic top electrodes are important constituents of PSCs and Per-SCs, which affect the efficiency and stability of these cells. Owing to the disadvantages of current materials, including instability and high cost, the development of alternative materials has attracted significant attention. Owing to their more flexible physical and chemical characteristics, ternary oxides are considered to be appealing alternatives, where ATiO3 materials—a class of ternary perovskite oxides—have demonstrated considerable potential for applications in solar cells. Here, we have employed calculations based on the density functional theory to study the structural, optoelectronic, and magnetic properties of ATiO3 (A=Li, Na, K, Rb, and Cs) in different crystallographic phases to determine their potential as PSCs and Per-SCs materials. We have also determined thermal and elastic properties to evaluate their mechanical and thermal stability. Our calculations have revealed that KTiO3 and RbTiO3 possess similar electronic properties as half-metallic materials, while LiTiO3 and CsTiO3 are metallic. Semiconductor behavior with a direct band gap of 2.77 eV was observed for NaTiO3, and calculations of the optical and electronic properties predicted that NaTiO3 is the most appropriate candidate to be employed as a charge transfer layer (CTL) and bottom transparent conducting electrode (TCE) in PSCs and Per-SCs, owing to its transparency and large bandgap, whereas NaTiO3 also provided superior elastic and thermal properties. Among the metallic and half-metallic ATiO3 compounds, CsTiO3 and KTiO3 exhibited the most appropriate features for the top electrode and additional absorbent in the active layer, respectively, to enhance the performance and stability of these cells.

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“…Additionally, co-doping or double doping seems to be required for tuning the materials' properties. Saadeddin et al [18] found that the double doping of SnO 2 by Zn and Sb significantly improved its electrical conductivity and density, and the presence of Zn prevents the Sb evaporation during solid-state reaction at 1300 • C. According to Lamrani [19], the double (Eu, Gd) impurities substitute the adjacent Sn sites and result in strong ferromagnetic interactions via the p-f hybridization between rare-earth 4f and Op states. The obtained ferromagnetic alloy is expected to act as a great power source for effective photovoltaic conversion in solar cell applications.…”

Section: Introductionmentioning

confidence: 99%

Design of SnO2:Ni,Ir Nanoparticulate Photoelectrodes for Efficient Photoelectrochemical Water Splitting

et al. 2022

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Currently, hydrogen generation via photocatalytic water splitting using semiconductors is regarded as a simple environmental solution to energy challenges. This paper discusses the effects of the doping of noble metals, Ir (3.0 at.%) and Ni (1.5–4.5 at.%), on the structure, morphology, optical properties, and photoelectrochemical performance of sol-gel-produced SnO2 thin films. The incorporation of Ir and Ni influences the position of the peaks and the lattice characteristics of the tetragonal polycrystalline SnO2 films. The films have a homogeneous, compact, and crack-free nanoparticulate morphology. As the doping level is increased, the grain size shrinks, and the films have a high proclivity for forming Sn–OH bonds. The optical bandgap of the un-doped film is 3.5 eV, which fluctuates depending on the doping elements and their ratios to 2.7 eV for the 3.0% Ni-doped SnO2:Ir Photoelectrochemical (PEC) electrode. This electrode produces the highest photocurrent density (Jph = 46.38 mA/cm2) and PEC hydrogen production rate (52.22 mmol h−1cm−2 at −1V), with an Incident-Photon-to-Current Efficiency (IPCE% )of 17.43% at 307 nm. The applied bias photon-to-current efficiency (ABPE) of this electrode is 1.038% at −0.839 V, with an offset of 0.391% at 0 V and 307 nm. These are the highest reported values for SnO2-based PEC catalysts. The electrolyte type influences the Jph values of photoelectrodes in the order Jph(HCl) > Jph(NaOH) > Jph(Na2SO4). After 12 runs of reusability at −1 V, the optimized photoelectrode shows high stability and retains about 94.95% of its initial PEC performance, with a corrosion rate of 5.46 nm/year. This research provides a novel doping technique for the development of a highly active SnO2-based photoelectrocatalyst for solar light-driven hydrogen fuel generation.

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Ferromagnetic alloy for high-efficiency photovoltaic conversion in solar cells: first-principles insights when doping SnO₂ rutile with coupled Eu–Gd

Abstract: A material design of half-metallic ferromagnetic semiconductors based on (Eu, Gd)-doped SnO2 rutile is proposed for High-Efficiency Photovoltaic Conversion in solar cells.

Cited by 9 publications

References 59 publications

Electronic, magnetic, optical and thermoelectric properties of co-doped Sn_1−2xMn_xA_xO₂(A = Mo, Tc): a first principles insight

Electronic, magnetic, optical and thermoelectric properties of co-doped Sn_1−2xMn_xA_xO₂(A = Mo, Tc): a first principles insight

A Density Functional Theory Study of the Physico-Chemical Properties of Alkali Metal Titanate Perovskites for Solar Cell Applications

Design of SnO2:Ni,Ir Nanoparticulate Photoelectrodes for Efficient Photoelectrochemical Water Splitting

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Ferromagnetic alloy for high-efficiency photovoltaic conversion in solar cells: first-principles insights when doping SnO2 rutile with coupled Eu–Gd

Abstract: A material design of half-metallic ferromagnetic semiconductors based on (Eu, Gd)-doped SnO2 rutile is proposed for High-Efficiency Photovoltaic Conversion in solar cells.

Cited by 9 publications

References 59 publications

Electronic, magnetic, optical and thermoelectric properties of co-doped Sn1−2xMnxAxO2(A = Mo, Tc): a first principles insight

Electronic, magnetic, optical and thermoelectric properties of co-doped Sn1−2xMnxAxO2(A = Mo, Tc): a first principles insight

A Density Functional Theory Study of the Physico-Chemical Properties of Alkali Metal Titanate Perovskites for Solar Cell Applications

Design of SnO2:Ni,Ir Nanoparticulate Photoelectrodes for Efficient Photoelectrochemical Water Splitting

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Ferromagnetic alloy for high-efficiency photovoltaic conversion in solar cells: first-principles insights when doping SnO₂ rutile with coupled Eu–Gd

Electronic, magnetic, optical and thermoelectric properties of co-doped Sn_1−2xMn_xA_xO₂(A = Mo, Tc): a first principles insight

Electronic, magnetic, optical and thermoelectric properties of co-doped Sn_1−2xMn_xA_xO₂(A = Mo, Tc): a first principles insight