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INORGANIC CHEMISTRY · 2021 · IF 5.165

Cd3(IO3)(IO4)F2·0.1CdO: A Nonlinear-Optical Crystal with the Introduction of Fluoride into Iodate Containing Both [IO3]− and [IO4]3– Groups

Liling Cao,Shengzi Zhang,Dan Zhao,Bingxuan Li,Tao Yan,Guangsai Yang,Zheshuai Lin,Min Luo,Ning Ye

A new d10 transition-metal iodate fluoride, namely, Cd3(IO3)(IO4)F2·0.1CdO, was successfully designed and synthesized via the mid-infrared hydrothermal method. It crystallizes in the polar space group R3m and features the coexistence of the [IO3]− and [IO4]3– groups. Cd3(IO3)(IO4)F2·0.1CdO has a strong second-harmonic-generation response of about 3.0 times that of KDP(KH2PO4), large birefringence (0.133 at 546.1 nm), and a wide energy band gap (4.00 eV). In addition, the power laser damage threshold (LDT) measurement indicated that it possesses a high LDT of 84.29 MW/cm2, which is about 30 times that of AgGaS2. These superior properties showed that Cd3(IO3)(IO4)F2·0.1CdO may be an excellent nonlinear-optical crystal for visible and mid-infrared application.

研究领域: 材料科学 · 光学 · 晶体学
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CERAMICS INTERNATIONAL · 2024 · IF 5.1

Effect of polarization electric field in photodegradation over ε-Cd(IO3)2 photocatalyst against antibiotics and dyes

Wenwu Zhao,Jinqiang Liu,Haijing Zhou,Jianyuan Yu,Bin Hao,Jian Liu

The efficient photogenerated carriers separation is the key factor in enhancing the activity of photocatalysts to solve environmental pollution problems. The internal polarized electric fields in polar materials most likely provide a more direct and stronger driving force for photogenerated carriers separation. Here, we investigate polar ε -Cd(IO 3 ) 2 (CIO) with two different morphologies as an efficient photocatalyst for the photodegradation of antibiotics and dyes. According to the theoretical calculation of the ratios of m h */ m e * along three different crystal axis directions, the photogenerated carrier separation efficiency along the c -axis direction is the largest, which matches the direction of the polarized electric field in the crystal. The internal polarized electric field promotes the separation of photogenerated carriers, leading to a high transfer efficiency of the catalyst. Moreover, photodegradation experiments demonstrate that the photocatalytic activity of CIO-1 is approximately 3 times that of TiO 2 P25. This study provides some insights that might aid the development of polar photocatalysts with superior performance.

研究领域: 环境科学 · 材料科学
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CHEMISTRY OF MATERIALS · 2024 · IF 7.2

C(NH2)3MoO3(IO3): A Molybdenyl Iodate with Giant Birefringence Designed via a Cation–Anion Synergetic Interaction Strategy

Wei Zeng,Yao Tian,Xuehua Dong,Ling Huang,Hongmei Zeng,Zhien Lin,Guohong Zou

Birefringent crystals are extensively utilized across diverse optical applications due to their unique property of splitting incident light into dual refracted rays, thereby modulating and controlling light polarization. The pursuit of promoting the birefringence of such crystals to facilitate device miniaturization has recently emerged as a prominent area of focus. In this investigation, we introduce two molybdenyl iodates, namely, C(NH2)3MoO3(IO3) and Rb2MoO2(I2O6)(IO3)2, conceived through a “cation–anion synergetic interaction” strategy. Each compound exhibits a one-dimensional chain structure. Despite processing similar wide band gaps (3.33 and 3.22 eV), these materials display a variance in their birefringence (Δn = 0.426 and 0.261 @546 nm). Notably, C(NH2)3MoO3(IO3) showcases the highest birefringence among all hitherto reported molybdenyl iodates, signifying its potential as a high-performance birefringent crystal. Theoretical analyses indicate that the C(NH2)3+ cation, acting as a birefringence-active unit, significantly bolsters the birefringence of molybdate iodates. Moreover, the presence of extensive hydrogen-bonding interactions between C(NH2)3+ cations and iodates influences the orientation of the highly anisotropic iodates, thereby further enhancing the birefringence of C(NH2)3MoO3(IO3). This research paves the way for the future exploration of organic–inorganic hybrid molybdenyl iodates exhibiting exceptional optical performance.

研究领域: 光学材料 · 晶体学 · 材料科学
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Nature Energy · 2024 · IF 49.7

Reversible multielectron transfer I−/IO3− cathode enabled by a hetero-halogen electrolyte for high-energy-density aqueous batteries

Xie Congxin,Wang Chao,Xu Yue,Li Tianyu,Fu Qiang,Li Xianfeng

The ever-increasing need for energy-dense batteries with high safety is fuelling global research and innovations in new redox chemistry and device design. Here we show an aqueous battery employing highly concentrated hetero-halogen electrolytes that contain I − and Br - , resulting in a multielectron transfer process of I − /IO 3 − . The intermediate bromide species IBr and Br 2 , generated during the electrochemical process, enhances the reaction kinetics and alleviates the potential gap between oxidation and reduction. When using a 6 M I − electrolyte to achieve over 30 M electron transfers, the I − /IO 3 − cathode displayed a high specific capacity of over 840 Ah l catholyte −1 . A battery with Cd/Cd 2+ as the anode demonstrated a high energy density of over 1,200 Wh l catholyte −1 . Even at an exceptionally high current density of 120 mA cm −2 , an energy efficiency of 72% was obtained. Our work demonstrates that safe aqueous batteries with high energy density are possible, offering a development option for grid-scale energy storage and even electric vehicles.

CAS / MDL: 10124-36-4
研究领域: 电化学 · 能源存储 · 电池技术 · 材料科学
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INORGANIC CHEMISTRY · 2026 · IF 4.6

IO3–-Mediated Short-Range Magnetic Order in 2D Honeycomb LiFe(IO3)2F2

Wang Yanhong,Li Shuaikun,Li Haibo,Lv Yun,Volkova Olga S.,Vasiliev Alexander N.,Xia Zhengcai,Koo Hyun-Joo,Whangbo Myung-Hwan,Lu Hongcheng

Low-dimensional quantum magnets exhibit exotic quantum phenomena such as short-range order, spin gap, and spin liquid, with potential applications in spintronics and quantum technologies. These quantum phenomena are usually observed in magnetic systems with strong spin exchange mediated by monatomic ions like O 2– , particularly with small quantum spins S . Herein, we report that IO 3 – polyatomic ions mediate efficient spin exchange, resulting in the rarely observed short-range magnetic order at 13.8 K in a novel two-dimensional S = 5/2 iodate-fluoride, LiFe(IO 3 ) 2 F 2 , with a honeycomb lattice. This is also supported by a negative Weiss temperature of −25 K and DFT calculations. The compound further undergoes a three-dimensional antiferromagnetic (AFM) long-range order at 9.9 K following the short-range ordering. In addition, the magnetization measured at 2 K reveals a spin-flop transition around 4.4 T. These findings demonstrate that the IO 3 – bridge provides a new strategy to chemically construct novel low-dimensional magnetic systems, offering a platform to explore exotic quantum phenomena and enabling potential applications in quantum computing and spin-based technologies.

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INORGANIC CHEMISTRY · 2024 · IF 4.3

From NaGa(IO3)3F to NaGa(IO3)2F2 and NaGa(IO3)4: The Effects of Chemical Substitution between F– Anions and IO3– Groups on the Structures and Properties of Gallium Iodates

Shuoxing Yang,Hongping Wu,Zhanggui Hu,Jiyang Wang,Yicheng Wu,Hongwei Yu

Introducing F– anions or substituting F– anions with IO3– groups has been proven to be ideal strategies for designing novel noncentrosymmetric (NCS) and polar materials, yet systematic investigation into the effect of F– anions or the substitution of IO3– for F– anions on structures and properties remains rarely explored. Herein, two new gallium iodates, NaGa(IO3)2F2 (1) and NaGa(IO3)4 (2), were successfully designed and synthesized based on NaGa(IO3)3F by introducing more F– anions and replacing F– anions with IO3 groups, respectively. Structurally, in compound 1, the adjacent [GaF3(IO3)3]3– polyanions are connected in an antiparallel manner, resulting in a complete cancellation of local polarity. While in compound 2, all IO3 groups in 2D [Ga(IO3)4]∞– layers are aligned, leading to large macroscopic polarization. Additionally, chemical substitution also results in a qualitative improvement in the functional properties of compound 2. It possesses strong SHG response (12 × KDP @1064 nm) and broad optical transparency, coupled with large birefringence (0.21 @1064 nm), showcasing its promise as a promising nonlinear optical (NLO) crystal. The effects of chemical substitution between F– anions and IO3– groups on the structures and properties are discussed in detail.

CAS / MDL: 7782-68-5 12024-21-4
研究领域: 材料科学 · 晶体化学
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JOURNAL OF MOLECULAR STRUCTURE · 2025 · IF 4.7

K2HGa(IO3)6: A new member of iodate families with [M(IO3)6] building blocks

Runqing Liu,Yuntian Zhao,Huaifeng Wang,Jiming Huang,Shibo Guan,Senlin Leng

A new iodate K 2 HGa(IO 3 ) 6 (CCDC: 2485176) has been synthesized via the facile hydrothermal method in the K 2 O-Ga 2 O 3 -I 2 O 5 system. The crystal structure of K 2 HGa(IO 3 ) 6 features a zero-dimensional [Ga(IO 3 ) 6 ][ 3 ] - structural building units (SBUs) with the cavities filled by the K, H cations to keep the charge balance. UV-Vis-NIR diffuse reflectance and IR spectrum were used to characterize the optical properties. TG-DSC shows that K 2 HGa(IO 3 ) 6 was no weight loss before 440°C.

研究领域: 无机化学 · 材料科学 · 晶体工程 · 光学材料
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SOLID STATE SCIENCES · 2018 · IF 1.861

Bi2(IO3)(IO6): First combination of [IO3]− and [IO6]5− anions in three-dimensional framework

Chuanling Sun,Yuandong Wu,Dajiang Mei,Thomas Doert

A new bismuth (III) iodate periodate , Bi 2 (IO 3 )(IO 6 ) was obtained from hydrothermal reactions using Bi(NO 3 ) 3 ·5H 2 O, and H 5 IO 6 as starting materials. Bi 2 (IO 3 )(IO 6 ) crystallizes in the monoclinic space group P 2 1 / c (No. 14) with lattice parameters ɑ  = 8.1119(6), b  = 5.4746(4), c  = 16.357(1) Å, β  = 99.187(2)°, V  = 717.07(9) Å 3 , Z  = 4. The structure of Bi 2 (IO 3 )(IO 6 ) features a three-dimensional framework which is a combination of [Bi(1)O 5 ] tetragonal pyramids, [Bi(2)O 8 ] bicapped trigonal prisms and [IO 3 ] − and [IO 6 ] 5− anions. Thermal analysis shows that the compound is thermally stable up to about 350 °C. The solid state UV-vis-NIR diffuse reflectance spectrum indicates that Bi 2 (IO 3 )(IO 6 ) is a semiconductor with a band gap of 2.76 eV.

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Materials Chemistry Frontiers · 2024 ·Vol. 8 ·期 6 ·1636-1642 · IF 6

Pressure-driven multiple optoelectronic evolution in CsMoO3(IO3) with dual functional [MoO6] and [IO3] groups

Dequan Jiang,Chen Li,Ting Wen,Ke Liu,Yingying Ma,En Chen,Tianyao Pei,Yonggang Wang

Exploring optoelectronic functional materials has been of growing interest, due to their potential applications in information and energy storage. Pressure, as a direct way of modulating the localized groups of materials, has the potential to induce significant changes in optoelectronic properties. Herein, we adopt the pressure method to synergistically modulate the configuration of dual functional groups in CsMoO3(IO3) (i.e., lone-pair electrons [IO3] and second-order Jahn–Teller [MoO6] groups). Under pressure, CsMoO3(IO3) undergoes an isostructural phase transition, resulting in multiple optoelectronic changes of the “colorless-to-brown” piezochromism, the second harmonic generation “on-to-off” transformation, and the enhancement of the photocurrent switching ratio (× ∼10 times). First-principles calculations are also employed to explain the structure–property relationship. This work will shed light on further advancements in functional materials with multiple optoelectronic properties in extreme environments.

研究领域: 材料科学 · 凝聚态物理 · 无机化学 · 光学工程 · 应用物理学
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DALTON TRANSACTIONS · 2019 ·Vol. 48 ·期 27 ·10320-10326 · IF 4.052

KBi(IO3)3(OH) and NaBi(IO3)4: from the centrosymmetric chain to a noncentrosymmetric double layer

Ying-Jie Jia,Yi-Gang Chen,Ting Wang,Yao Guo,Xiao-Fang Guan,Xian-Ming Zhang

Two new alkali–metal bismuth iodates KBi(IO3)3(OH) (1) and NaBi(IO3)4 (2) have been synthesized by a hydrothermal method via tuning of alkali–metal ions. Compound 1 crystallizes in the space group P and features a [Bi(IO3)3(OH)]n chain with eight-membered Bi–O–I–O–Bi–O–I–O rings. The [Bi(IO3)3(OH)]n chain consists of paddlewheel-like dimeric Bi2(OH)2(IO3)4 units linked by IO3 pairs. Compound 2 in the polar space group Cc features a [Bi(IO3)4]− double layer with Bi4I4 eight-membered rings (8-MRs). NaBi(IO3)4 exhibits a strong second harmonic generation (SHG) response of ∼5.0 × KDP (KH2PO4) and a wide transmittance window (0.4–12 μm), and structure analyses and theoretical calculations reveal that polarization results mainly from the proper alignment of the IO3 groups. The calculated electronic structure based on the DFT method indicates that the BiOn and IO3 groups dominate their optical properties.

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CRYSTENGCOMM · 2021 ·Vol. 24 ·期 1 ·77-82 · IF 3.545

A new I3O93− group constructed from IO3− and IO55− anion units in Cs3[Ga2O(I3O9)(IO3)4(HIO3)]

Dandan Wang,Xiaoqing Jiang,Pifu Gong,Xinyuan Zhang,Zheshuai Lin,Zhanggui Hu,Yicheng Wu

An alkali metal gallium iodate, Cs3[Ga2O(I3O9)(IO3)4(HIO3)] (CGIO), was synthesized by the traditional hydrothermal method. Interestingly, CGIO revealed a novel I3O93− fundamental building block (FBB) constituted by two IO3 tetrahedrons and one IO5 polyhedron through sharing O atoms. The new I3O93− trimer forms a 0D [Ga2O(I3O9)(IO3)4(HIO3)]3− anion cluster together with the [Ga2O11]16− dimer and isolated IO3− units. The UV-vis-NIR diffuse reflectance spectrum of CGIO shows a wide bandgap of 4.05 eV, and the thermal stability could reach above 400 °C. First-principles calculations explicated that the optical properties of CGIO mainly originated from the iodate anion units with a calculated birefringence of 0.04 at 1064 nm.

研究领域: 无机化学 · 材料科学 · 晶体学 · 物理化学 · 光学材料
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Small · 2023 ·Vol. 20 ·期 3 ·2306459 · IF 13.3

LiGa(IO3)4: An Excellent NLO Material with Unprecedented 2D [Ga(IO3)4]∞− Layer Synthesized by Aliovalent Substitution

Shuoxing Yang,Hongping Wu,Zhanggui Hu,Jiyang Wang,Yicheng Wu,Hongwei Yu

Nonlinear optical (NLO) crystals are indispensable for the solid-state lasers for their ability to expand wavelength spectral to the regions where the directing lasing is difficult or even impossible, yet the rational design of a high-performance NLO crystal remains a great challenge owing to the severe structural and properties’ requirements. Herein, a new noncentrosymmetric (NCS) and polar gallium iodate, LiGa(IO 3 ) 4 , with a novel 2D anionic layer, is successfully designed and synthesized by the aliovalent substitution strategy based on classic α-LiIO 3 . The 2D [Ga(IO 3 ) 4 ] ∞ − layer in LiGa(IO 3 ) 4 is built from the GaO 6 octahedra and highly polarizable units IO 3 . Compared with its parent compound, the partial replacement of A-site Li + cation with main group Ga 3+ cation facilitates LiGa(IO 3 ) 4 to possess excellent NLO properties, including the large second-harmonic generation (SHG) response (14 × KH 2 PO 4 (KDP) @ 1064 nm), wide bandgap (4.25 eV), large birefringence (0.23 @ 1064 nm), and wide optical transparency from UV to mid-IR. These reveal that LiGa(IO 3 ) 4 will be a promising NLO crystal.

CAS / MDL: 7782-68-5 12024-21-4
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