Pb₂(SeO₃)(SiF₆): the first selenite fluorosilicate with a wide bandgap and large birefringence achieved through perfluorinated group modification

Chemical Science, Journal Year: 2024, Volume and Issue: 15(19), P. 7104 - 7110

Published: Jan. 1, 2024

The first selenite fluorosilicate, Pb 2 (SeO 3 )(SiF 6 ), modified with perfluorinated groups, features a broad transparency range, large birefringence, high LIDT, and excellent environmental stability, marking it potential birefringent material.

Language: Английский

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Integration of Open Metal Sites in an Amino-Functionalized Sm(III)–Organic Framework toward Enhanced Third-Order Nonlinear Optical Property

Inorganic Chemistry, Journal Year: 2024, Volume and Issue: 63(39), P. 18173 - 18181

Published: Sept. 13, 2024

A variety of new inorganic and organic materials have emerged to advance laser technologies optical engineering. rational design approach can contribute significantly fabricating nonlinear optically active metal-organic frameworks (MOFs) by considering the underlying structure-property linkage. Here, it has been embarked on a study novel samarium(III) MOF, ([Sm

Language: Английский

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HgBr₂: an easily growing wide-spectrum birefringent crystal

Chemical Science, Journal Year: 2024, Volume and Issue: 15(18), P. 6891 - 6896

Published: Jan. 1, 2024

The present work fully investigated the potential of mercury bromide as an excellent birefringent crystal.

Language: Английский

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KBa₃M₂F₁₄Cl (M = Zr, Hf): novel short-wavelength mixed metal halides with the largest second-harmonic generation responses contributed by mixed functional moieties

Chemical Science, Journal Year: 2024, Volume and Issue: 15(22), P. 8500 - 8505

Published: Jan. 1, 2024

First phase-matchable metal mixed halides with deep-ultraviolet transmittance, KBa 3 M 2 F 14 Cl (M = Zr, Hf), show largest SHG effects coming from isolated MF 7 units, Ba 2+ and − cations. And the optimally aligning units work for large birefringence.

Language: Английский

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Prismatic crystal field stabilized divalent rare-earth chalcogenide RE^IIB^II₆C^III₆Q^VI₁₆ with bifunctionality

The Innovation Materials, Journal Year: 2025, Volume and Issue: unknown, P. 100118 - 100118

Published: Jan. 1, 2025

<p>Divalent rare-earth (RE²⁺) compounds with unique electronic configurations have been known for more than 100 years, and many efforts done, but the synthesis of inorganic RE²⁺ chalcogenides is still a challenge due to chemical instability RE²⁺. Herein, nine new RE^IIB^II₆C^III₆Q^VI₁₆ (RE^II = La, Ce, Pr, Yb; B^II Mg, Mn; C^III Al, Ga; Q^VI S, Se) rationally designed in an octahedra tetrahedra composed flexible framework, fabricated experiment. In compounds, stabilized by prismatic crystal field, rather common octahedral field. The especially sulfides, exhibit significant luminescence properties wide visible light emission bands under excitation ultraviolet source. Meanwhile, representative LaMg₆Ga₆Se₁₆ exhibits strong nonlinear optical (NLO) response 1.5 × AgGaS₂ (AGS), high laser-induced damage threshold (LIDT) 3 AGS. results demonstrate that are bifunctional enriching diversity RE materials, opening avenue design functional materials based on stable anionic frameworks.</p>

Language: Английский

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Homoatomic Polychalcogenide Nonlinear Optical Anionic Groups with Ultra-Large Optical Anisotropy

Journal of the American Chemical Society, Journal Year: 2024, Volume and Issue: 146(23), P. 16148 - 16160

Published: May 31, 2024

Functional assembly of nonlinear optical (NLO) motifs with a large anisotropy is vital to the development advanced NLO and birefringent materials. In this work, we highlight that, in addition heteroatomic motifs, homoatomic anionic clusters formed by aggregated anions (S, Se, Te) exhibit diverse chain-, ring-, cage-like chemical structures as well one-, two-, three-dimensional motif alignments. The rich structural chemistry enables polychalcogenides (HAPCs) asymmetric features anisotropic properties, great potential for performance. Focusing on totally 55 binary HAPCs A2Qn (n = 2, 3, 4, 5; A Na, K, Rb, Cs; Q S, their ternary analogues, employ state-of-the-art first-principles approach systematically investigate modulation evolution properties. Remarkably, Rb2Te3 Na2TeSe2 rarely colossal birefringence (>1.0@10 μm) effects (>20 × AgGaS2), much larger than conventional chalcogenides. Na2Te3 presents largest date (∼3.48@1, 2.72@2, 2.34@10 μm), indicating unique superiority HAPC terms ultra-large birefringence. By mining intrinsic mechanism, groups are identified novel mid-infrared "material genes", furnishing performance design optoelectronic

Language: Английский

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Hg₁₆O₁₂(NO₃)₆F₂(H₂O): A Mercury-Rich Nitrate Oxyfluoride with Diverse Triple-Coordinated Mercury-Based Units That Exhibits an Unparalleled [(Hg₁₆O₁₂F₂(H₂O))⁶⁺]_∞ Cationic Framework and a Large Birefringence

Inorganic Chemistry, Journal Year: 2024, Volume and Issue: 63(14), P. 6127 - 6131

Published: March 28, 2024

Designing new compounds based on anion regulation has been widely favored due to the production of diverse crystal structures and excellent optical properties. Here, a nitrate oxyfluoride, Hg16O12(NO3)6F2(H2O), obtained through hydrothermal reaction. It crystallizes in centric Ibca space group shows novel three-dimensional [(Hg16O12F2(H2O))6+]∞ cationic framework composed interconnected HgO2F, HgO3, HgO2(H2O) units, with isolated NO3– groups as balanced anions build whole structure. Notably, HgO2F units are first presented here among mercury (Hg)-based compounds. Additionally, Hg16O12(NO3)6F2(H2O) exhibits large birefringence 0.17 at 546 nm. This work enriches multiformity Hg-based provides route for developing promising birefringent materials.

Language: Английский

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Centrosymmetric CaBaMF₈ and Noncentrosymmetric Li₂CaMF₈ (M = Zr, Hf): Dimension Variation and Nonlinear Optical Activity Resulting from an Isovalent Cation Substitution-Oriented Design

Inorganic Chemistry, Journal Year: 2024, Volume and Issue: 63(11), P. 5260 - 5268

Published: March 6, 2024

Zirconium/hafnium fluorides have recently been recognized as potential nonlinear optical (NLO) materials with short ultraviolet (UV) cutoff edges, which is significant in laser science and industry. The synthesis of noncentrosymmetric (NCS) based on centrosymmetric (CS) compounds by an isovalent cation substitution-oriented design emerging strategy the NLO territory. Here, two isostructural novel fluorides, CaBaMF8 (M = Zr (1), Hf (2)), synthesized through combination alkaline earth metals, zirconium/hafnium, fluorine elements. They feature zero-dimensional CS structures composed isolated MF8 Zr, Hf) dodecahedron dissociative Ca2+ Ba2+ cations, they display UV edges (<200 nm) well. Two three-dimensional Li2CaMF8 (3), (4)) are obtained replacing Ba alkali metal Li atom, not only represent phase-matchable second-harmonic-generation activities (0.36, 0.30× KH2PO4 (KDP)) at 1064 nm but also maintain high reflectance. This work has largely enriched family NCS zirconium/hafnium reaching region.

Language: Английский

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[Na₂PbI][Ga₇S₁₂]: Combining Diamond-Like Anionic Framework with Polycationic Chain toward Achieving Remarkable Nonlinear Optical Response

Chemistry of Materials, Journal Year: 2024, Volume and Issue: 36(7), P. 3444 - 3451

Published: March 27, 2024

The diamond-like structure is characterized by the well-arranged parallel tetrahedral units, which hold significant importance for infrared nonlinear optical (NLO) applications. By employing an unconventional substitution strategy, a ZnS (sphalerite) template was utilized to replace several ZnxSy tetrahedra with one-dimensional [Na2PbI] infinite chains, resulting in successful design and synthesis of salt-inclusion sulfide, [Na2PbI][Ga7S12] (1). Remarkably, highly parallel-oriented [Ga7S16] double T2-supertetrahedron units presence Pb2+-centered polyhedra contribute its exceptional second-harmonic generation (SHG) intensity (2.6 × AgGaS2@1800 nm), belonging top-performing chalcogenides. Furthermore, compound 1 possesses appropriate band gap (Eg = 2.53 eV) exceeds two-photon absorption 1064 nm, mainly high laser-induced damage threshold (LIDT, 3.6 AgGaS2). Particularly, phase achieves phase-matching ability (birefringence: 0.069) that α-ZnS cannot possess. These characteristics indicate this strategy provides insights into excellent NLO compounds.

Language: Английский

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Realizing Excellent Infrared Nonlinear Optical Performance in Eu-Based Chalcogenides via Rational Cross Substitution Strategy

ACS Applied Materials & Interfaces, Journal Year: 2024, Volume and Issue: 16(39), P. 52682 - 52691

Published: Sept. 23, 2024

In recent years, rare-earth-based chalcogenides have gained attention promising materials in the field of infrared nonlinear optical (IR-NLO) applications owing to their exceptional physicochemical properties. However, they frequently encounter challenges such as adverse two-photon absorption and low laser-induced damage thresholds (LIDTs) caused by narrow band gaps (

Language: Английский

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