Visible-light photovoltaic effect in high-temperature ferroelectric BaFe<sub>4</sub>O<sub>7</sub>

Zhang, Ganghua; Hou, Jingshan; Zhu, Mingjun; Huang, Guoquan; Li, Dezeng; Fang, Yongzheng; Zeng, Tao

doi:10.1039/d0tc03937c

Cited by 10 publications

(6 citation statements)

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“…It has been demonstrated that the separation and transfer of photogenerated carriers can be efficiently promoted by ferroelectric polarization. − ,, Hence, the role of the polarization on the PV performance of [C 6 N 2 H 18 ][SbI 5 ]-based device was investigated by poling [C 6 N 2 H 18 ][SbI 5 ] film at different electric fields. As shown in Figure a, J sc and V oc of the poled sample are significantly higher than those of the unpoled one, confirming the important role of ferroelectric polarization in their PV performance.…”

Section: Resultsmentioning

confidence: 99%

“…Although a low-temperature T C ∼ 192.7 K has been reported in [C 6 N 2 H 18 ][SbI 5 ], the possibility of high-temperature polarity still cannot be absolutely ruled out due to the complicated structure model. Actually, with further in-depth research on the structural and physical properties, many hidden RT ferroelectric materials have been revealed, such as Sr 3 Sn 2 O 7 , BaFe 4 O 7 , CsNbW 2 O 9 , and (Ca,Sr) 3 Ti 2 O 7 . In this work, [C 6 N 2 H 18 ][SbI 5 ] single crystals were synthesized by a facile hydrothermal route.…”

Section: Introductionmentioning

confidence: 99%

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Polarization-Enhanced Photovoltaic Effects in a High-Temperature Molecular Ferroelectric [C₆N₂H₁₈][SbI₅]-Based Solar Device

Zhang

Zhu

Guan

et al. 2022

ACS Appl. Energy Mater.

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Molecular ferroelectrics with narrow bandgaps has great potential in the photoelectric field, but the outstanding species are still scarce. Herein, [C6N2H18][SbI5] has been demonstrated as a room-temperature (RT) molecular ferroelectric and applied to the organic–inorganic hybrid solar cells as the light-absorbing layer. The polar orthorhombic structure was solved by single-crystal XRD. The inherent RT ferroelectricity was revealed by hysteresis measurements with superior saturation polarization (P s), remanent polarization (P r), and coercive field (E c) as 12.55 μC/cm2, 10.78 μC/cm2, and 0.33 kV/cm, respectively. The [C6N2H18][SbI5]-based solar device exhibits a significant photovoltaic (PV) effect under AM 1.5 G illumination with V oc ∼ 0.43 V, J sc ∼ 35.17 μA/cm2, and a fast response time of ∼0.33 ms. A dramatical enhancement in PV performance has been achieved by turning the ferroelectric polarization, leading to the maximum V oc ∼ 0.75 V, J sc ∼ 1.09 mA/cm2, and a power conversion efficiency (PCE) of 0.29%. This work offers a bright avenue for molecular ferroelectrics in optoelectronic devices.

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Section: Resultsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Polarization-Enhanced Photovoltaic Effects in a High-Temperature Molecular Ferroelectric [C₆N₂H₁₈][SbI₅]-Based Solar Device

Zhang

Zhu

Guan

et al. 2022

ACS Appl. Energy Mater.

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“…On the other hand, when the polar Cmc2 1 space group (n. 36) was used, a clear improvement of the reliability factors and normalization of the structural features were observed, in agreement with previous reports 33 (see Table S1 in the SI for details of the structural refinement). Such approach was effectively exploited for the correct space group assignment in other ferroelectric compounds in which, due to the small deviation from the centrosymmetric model, a comparative approach taking into account the physical properties of the system was required 15,16,34 . The crystal structure of γ-BaFe 2 O 4 displays the "stuffed tridymite" framework with an up-up-up-up-up-down (UUUUUD) pattern of tetrahedra around the triangular cavities running along the [100] direction (see Fig.…”

Section: Structural Characterizationmentioning

confidence: 99%

γ-BaFe2O4: a fresh playground for room temperature multiferroicity

et al. 2022

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Multiferroics, showing the coexistence of two or more ferroic orderings at room temperature, could harness a revolution in multifunctional devices. However, most of the multiferroic compounds known to date are not magnetically and electrically ordered at ambient conditions, so the discovery of new materials is pivotal to allow the development of the field. In this work, we show that BaFe2O4 is a previously unrecognized room temperature multiferroic. X-ray and neutron diffraction allowed to reveal the polar crystal structure of the compound as well as its antiferromagnetic behavior, confirmed by bulk magnetometry characterizations. Piezo force microscopy and electrical measurements show the polarization to be switchable by the application of an external field, while symmetry analysis and calculations based on density functional theory reveal the improper nature of the ferroelectric component. Considering the present findings, we propose BaFe2O4 as a Bi- and Pb-free model for the search of new advanced multiferroic materials.

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“…Ferrites are of interest for their magnetoelectric and ferroelectric behavior [52,53]. The top candidate material according to our criteria of large average force acting on the atoms is Magnetite Fe3O4, the first material known as magnetic to mankind.…”

Section: Top Candidates Reviewmentioning

confidence: 99%

Identification of materials with strong magnetostructural coupling using computational high-throughput screening

Casillas-Trujillo

Armiento

Alling

2021

Phys. Rev. Materials

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Important phenomena such as magnetostriction, magnetocaloric, and magnetoelectric effects arise from, or could be enhanced by, the coupling of magnetic and structural degrees of freedom. The coupling of spin and lattice also influence transport and structural properties in magnetic materials in particular around phase transitions. In this paper we propose a method for screening materials for a strong magneto-structural coupling by assessing the effect of the local magnetic configuration on the atomic forces using density functional theory (DFT). We have employed the disordered local moment approach in a supercell formulation to probe different magnetic local configurations and their forces and performed a highthroughput search on binary and ternary compounds available in the Crystallographic Open Database. We identify a list of materials with a strong spin-lattice coupling out of which several are already known to display magneto-lattice coupling-phenomena like Fe3O4 and CrN. Others, such as Mn2CrO4 and CaFe7O11 have been less studied and are yet to reveal their potentials in experiments and applications.

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Visible-light photovoltaic effect in high-temperature ferroelectric BaFe₄O₇

Abstract: Ferroelectric photovoltaics as a new type solar cell, relied on an internal electric field instead of p-n or Schottky junctions, can considerably improve the efficiency of charge separation and migration....

Cited by 10 publications

References 36 publications

Polarization-Enhanced Photovoltaic Effects in a High-Temperature Molecular Ferroelectric [C₆N₂H₁₈][SbI₅]-Based Solar Device

Polarization-Enhanced Photovoltaic Effects in a High-Temperature Molecular Ferroelectric [C₆N₂H₁₈][SbI₅]-Based Solar Device

γ-BaFe2O4: a fresh playground for room temperature multiferroicity

Identification of materials with strong magnetostructural coupling using computational high-throughput screening

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Visible-light photovoltaic effect in high-temperature ferroelectric BaFe4O7

Abstract: Ferroelectric photovoltaics as a new type solar cell, relied on an internal electric field instead of p-n or Schottky junctions, can considerably improve the efficiency of charge separation and migration....

Cited by 10 publications

References 36 publications

Polarization-Enhanced Photovoltaic Effects in a High-Temperature Molecular Ferroelectric [C6N2H18][SbI5]-Based Solar Device

Polarization-Enhanced Photovoltaic Effects in a High-Temperature Molecular Ferroelectric [C6N2H18][SbI5]-Based Solar Device

γ-BaFe2O4: a fresh playground for room temperature multiferroicity

Identification of materials with strong magnetostructural coupling using computational high-throughput screening

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Visible-light photovoltaic effect in high-temperature ferroelectric BaFe₄O₇

Polarization-Enhanced Photovoltaic Effects in a High-Temperature Molecular Ferroelectric [C₆N₂H₁₈][SbI₅]-Based Solar Device

Polarization-Enhanced Photovoltaic Effects in a High-Temperature Molecular Ferroelectric [C₆N₂H₁₈][SbI₅]-Based Solar Device