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ADVANCED FUNCTIONAL MATERIALS · 2025 · IF 19

Efficient and Selective Immobilization and Direct Conversion of Mercury Into Optical Material-HgSe via Highly Active Trigonal Phase Selenium (t-Se)

Rihong Xiao,Jianping Yang,Yili Zhang,Zhuo Xiong,Junying Zhang,Yongchun Zhao

Industrial flue gas mercury emissions account for 30% of global atmospheric mercury emissions. While selenium-based materials show potential in reducing mercury emissions, the aspect of mercury recovery is neglected amidst the pressing need for mercury resources. Unlike conventional adsorbent regeneration cycles, elemental selenium anchoring mercury directly yields valuable by-products such as HgSe, a semiconductor with a narrow bandgap, considered ideal for optoelectronic devices. Amorphous selenium (α-Se) exhibits high mercury removal efficiency at room temperature but converts to less active trigonal selenium (t-Se) in high-temperature industrial flue gas. The literature on the mercury removal behavior of t-Se is limited. To address this issue, rod-shaped selenium (Se-rod) with specific exposed active crystal facets (101) and vacancy defects is synthesized, achieving an exceptional mercury adsorption capacity of 430.10 mg g −1 . Moreover, the optical performance of self-produced HgSe surpasses those of commercial samples. Se-rod can be utilized for mercury removal while also bridging the gap in mercury resource supply.

研究领域: 环境科学 · 材料科学
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DALTON TRANSACTIONS · 2025 ·Vol. 54 ·期 30 ·11601-11606 · IF 3.3

A wide band gap selenohalide Cs9Si8Se20Cl with unprecedented [CsSe7Cl] mixed anionic units

Guansong Zheng,Wang Zhao,Xiaoyu Wu,Hongshan Wang,Yinxia Du,Juanjuan Lu,Xiao-dong Zhou,Junjie Li

Chalcohalides, combining the structural and property advantages of chalcogenides and halides, have been demonstrated to be a promising system for the design of advanced photoelectric functional materials. Herein, a new chalcohalide compound, Cs9Si8Se20Cl, has been rationally designed by introducing a nonlinear optical (NLO)-active [Si4Se10] T2-supertetrahedral unit into a halide system and synthesized experimentally by the flux method with CsCl as the flux. The compound is composed of [CsSe7Cl] polyhedral, [CsSe6] octahedral, and [Si4Se10] T2-supertetrahedral units. To the best of our knowledge, the [CsSe7Cl] mixed anionic unit appears for the first time in the compound, and the rare [Si4Se10] T2-supertetrahedral unit has been demonstrated to be a potential NLO-active unit for the design of infrared NLO materials with balanced optical properties. The theoretical calculations uncovered that the strong orbital hybridization between Si-3p, Se-4p and Cl-3p orbitals results in a wide band gap of 3.075 eV in the title compound. The results enrich the structural diversity of chalcohalide compounds and provide valuable insights into the design of wide band gap selenides.

研究领域: 材料化学 · 无机化学 · 光学材料 · 固态化学
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Advanced Optical Materials · 2024 · IF 8

Achieving Multicolor Anti-Counterfeiting via Simultaneous X-Ray and UV/Blue Excitation in Ca2YMgScSi3O12: Mn2+

Xinran Wang,Heng Dai,Baozhu Li,Xuhui Xu,Jian Zhang,Daiyuan Liu,Yichun Liu,Zhichao Liu

Optical materials have attracted much attention in anti-counterfeiting applications due to their visualization and multi-emission modes. However, the unit occupancy predestines the material to only monochromatic emission, inhibiting the application of optical materials in advanced information encryption. Here, a green to yellow to deep-red phosphor is reported in a Mn 2+ -activated garnet compound Ca 2 YMgScSi 3 O 12 : Mn 2+ (CYMSS: Mn 2+ ), originating from the abundant lattice sites occupying within the crystal structure by Mn 2+ ions. Three different photoluminescence (PL) emission bands peaked at 517, 576, and 720 nm from 4 T 1 (G) → 6 A 1 (S) are observed, which are attributed to the substitution of [Sc/MgO 6 ] octahedron and [Ca/YO 8 ] dodecahedron sites by Mn 2+ ions, respectively. Hence, tunable emissions from green to deep-red are realized in single Mn 2+ doping by switching the excitation source of ultraviolet (UV)/blue and X-ray, which can be further regulated by varying the Mn 2+ concentration. Multi-position occupying, color-tunable light-emitting materials offer the possibility of more advanced optical information encryption.

研究领域: 材料科学 · 光学
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JOURNAL OF ALLOYS AND COMPOUNDS · 2021 · IF 5.316

AMoO3(IO3) (A = Na and K): Two promising optical materials via properly assembling the Λ-shaped basic building units

Jin Chen,Chun-Li Hu,Yi-Lin Li,Qian-Qian Chen,Bing-Xuan Li,Jiang-Gao Mao

Herein, we reported two alkali metal molybdenum(VI) iodates, namely, NaMoO 3 (IO 3 ) and γ-KMoO 3 (IO 3 ) with 1D and 3D [MoO 3 (IO 3 )] − anionic architectures, respectively. The novel 1D chain in NaMoO 3 (IO 3 ) and the 3D network in γ-KMoO 3 (IO 3 ) are constructed by the 0D Λ-shaped cis -[MoO 4 (IO 3 ) 2 ] 4− building units interconnected by bridging IO 3 − anions as well as the corner-sharing of oxo anions. Importantly, the polar γ-KMoO 3 (IO 3 ) exhibits a very large second-harmonic generation (SHG) effect of 12 × KH 2 PO 4 (KDP) under 1064 nm laser radiation, a high laser-Induced damage threshold value (52 × AgGaS 2 ), and a moderate birefringence of 0.087@1064 nm, whereas the centrosymmetric NaMoO 3 (IO 3 ) has a large birefringence of 0.208@1064 nm. This study further proves the useful route of exploring promising optical materials via assembling the 0D basic building units into higher dimensional anionic architectures.

研究领域: 无机化学 · 材料科学 · 光学
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Inorganic Chemistry Frontiers · 2023 ·Vol. 10 ·期 16 ·4711-4718 · IF 7

Searching for silicate nonlinear optical materials by combining calculation and experiment

Jingjing Zhang,Ruqing Wei,Daqing Yang,Ying Wang,Bingbing Zhang

Nonlinear optical (NLO) materials have been applied in many high technology fields. In this work, the first-principles high-throughput screening pipeline (FHSP) has been used for searching NLO materials from the silicate system. 253 silicates collected in the Inorganic Crystal Structural Database (ICSD) have been successfully calculated. Among them, 8 crystals were screened out after two-step evaluation. Finally, 3 compounds were selected for synthesis after comprehensive investigation. The SHG intensities tested using the Kurtz–Perry method of KNbSi2O7, PbZnSiO4, and Na2TiSiO5 are 6.7, 2.9, and 2.8 times that of KDP, respectively. Their UV absorption edges are 243 nm, 276 nm, and 280 nm, respectively. This work provides a full view of silicates as NLO materials and obtains excellent candidates for the next step of development.

研究领域: 材料科学 · 计算化学 · 晶体学
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HIGH PERFORMANCE POLYMERS · 2025 · IF 1.6

Novel phenolphthalein-based aromatic polyesters: The investigations of the relationships between refractive index and structure

Zihao Wu,Jian Wang,Jiaxin Liu,Jinhua Lei,Heran Nie,Qiliang Yuan,Zhipeng Wang,Liang Li

Aromatic polyesters are an attractive class of engineering thermoplastics with excellent chemical properties, thermal stability and environmental stability, as well as good optical properties, but they have rarely been reported. Refractive index (RI) is one of the properties commonly used to compare the optical properties of materials. The higher the refractive index, the thinner the lens made of the corresponding material; however, the preparation of high-refractive-index polymers is currently a thorny issue, in which the structure of the polymer molecules has a great impact on their refractive index, to design high-refractive-index materials requires starting from the structure of the molecules. Phenolphthalein has a unique structure with a molecular skeleton consisting of three benzene rings and a cyclic lactone that exhibits a twisted non-coplanar structure. This cyclic side group can hinder the accumulation between the polymer molecular chains, not only improving the solubility of the polymer molecules, but also increasing the transparency of the polymer films. In this work, we used phenolphthalein (PHT) and its derivatives to polymerize with terephthaloyl chloride (TPC), respectively, through the structural differences between them, the influence of polymer structure on the refractive index and thermal properties was discussed. Among them, polyester PAR-NPHT had the highest refractive index (nd>1.67), and is expected to be a new generation of optical materials.

研究领域: 材料科学 · 化学工程
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INORGANIC CHEMISTRY · 2025 · IF 4.7

Enhanced Birefringence and Excellent Thermal Stability in Two Tellurium(IV) Vanadates: KTeOVO4 and Ca2TeV2O9

Tingyu Wang,Han Luo,Shunke Zhang,Ling Huang,Liling Cao,Xuehua Dong,Guohong Zou

Two tellurium(IV) vanadates, KTeOVO4 and Ca2TeV2O9, were synthesized by integrating Te4+ with lone-pair of electrons and V5+ exhibiting the second-order Jahn–Teller effect (SOJT) active centers. Both compounds feature unique one-dimensional chain structures formed by [TeO4] and [VOx] polyhedra, resulting in notable birefringence values of 0.162 and 0.128 at 546 nm, respectively, higher than those of commonly used materials like α-BaB2O4 (0.116@1064 nm) and LiNbO3 (0.074@1440 nm). Additionally, they demonstrate excellent thermal stability (up to 500 and 700 °C) and broad transparency ranges (0.39–10.00 μm and 0.53–10.68 μm), enabling potential applications in near- and mid-infrared optical devices. Structural and theoretical analyses reveal that the enhanced birefringence arises from the synergistic effects of Te4+ lone-pair electrons and the anisotropic polarizability of V5+ centers.

研究领域: 材料科学 · 光学
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Nature Communications · 2021 ·Vol. 12 ·期 1 ·1-8 · IF 14.919

Expanding the chemistry of borates with functional [BO2]− anions

Huang Chunmei,Mutailipu Miriding,Zhang Fangfang,Griffith Kent J.,Hu Cong,Yang Zhihua,Griffin John M.,Poeppelmeier Kenneth R.,Pan Shilie

More than 3900 crystalline borates, including borate minerals and synthetic inorganic borates, in addition to a wealth of industrially-important boron-containing glasses, have been discovered and characterized. Of these compounds, 99.9 % contain only the traditional triangular BO 3 and tetrahedral BO 4 units, which polymerize into superstructural motifs. Herein, a mixed metal K 5 Ba 2 (B 10 O 17 ) 2 (BO 2 ) with linear BO 2 structural units was obtained, pushing the boundaries of structural diversity and providing a direct strategy toward the maximum thresholds of birefringence for optical materials design. 11 B solid-state nuclear magnetic resonance (NMR) is a ubiquitous tool in the study of glasses and optical materials; here, density functional theory-based NMR crystallography guided the direct characterization of BO 2 structural units. The full anisotropic shift and quadrupolar tensors of linear BO 2 were extracted from K 5 Ba 2 (B 10 O 17 ) 2 (BO 2 ) containing BO 2 , BO 3 , and BO 4 and serve as guides to the identification of this powerful moiety in future and, potentially, previously-characterized borate minerals, ceramics, and glasses.

研究领域: 无机化学 · 材料科学
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DALTON TRANSACTIONS · 2023 ·Vol. 52 ·期 45 ·16920-16926 · IF 4

Synthesis, structures and properties of two new selenite optical materials: K2Zn3Se4O12 and K4Zn3V4Se2O19

Qiuyuan Feng,Zhixia Gao,Ketian Hou,Jialong Wang,Hong Du,Qun Jing

Two new selenites, K2Zn3Se4O12 (compound 1) and K4Zn3V4Se2O19 (compound 2), have been successfully synthesized by solid-state reactions in vacuum tubes. Compound 1 consists of a three-dimensional (3D) framework with [SeO3] triangular pyramids and [ZnO4] tetrahedra in the monoclinic space group P21/c (No. 14). Compound 1′s cut-off edge is below 344 nm, based on its UV-Vis-NIR diffuse reflectance studies, and theoretical calculations indicate a birefringence of around 0.043 at 1064 nm. The two-dimensional layer of compound 2, in contrast, is made up of [SeO3] triangular pyramids, [ZnO4] tetrahedra, and [V4O13] tetrahedra. It crystallizes in the monoclinic space group C2/c (No. 15). Its UV-Vis-NIR diffuse reflectance studies demonstrate that the compound's cut-off edge is lower than 330 nm.

CAS / MDL: 3486-35-9 7446-08-4
研究领域: 材料科学 · 化学
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Inorganic Chemistry Frontiers · 2023 ·Vol. 10 ·期 11 ·3248-3254 · IF 7

AgIn5Se8: a defect diamond-like non-linear optical selenide

Linfeng Dong,Shengzi Zhang,Pifu Gong,Fei Liang,Zheshuai Lin

A defect diamond-like mid-IR NLO material, AgIn5Se8, is synthesized and its NLO performance has been systematically studied for the first time. This compound exhibits a large SHG response about 0.7 times that of commercial AgGaS2. First-principles calculations reveal that the non-bonding electrons near the Se atoms make the dominant contribution to the SHG response. Furthermore, in order to improve the optical transparency range on a short-wave edge in AgIn5Se8, material design is carried out to enlarge the band gap while keeping the strong SHG response.

研究领域: 材料科学 · 物理学
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DALTON TRANSACTIONS · 2024 ·Vol. 53 ·期 29 ·12090-12097 · IF 3.5

β-CsHg2I5, a compound with rare [Hg2I5] dimers and large optical anisotropy

Yingying Kong,Hongshan Wang,Wang Zhao,Qi Sun,Junjie Li,Shilie Pan

Hg-based compounds show abundant structural diversity and distinguished properties. Herein, a new phase transition compound CsHg2I5 was reported. The high-temperature phase β-CsHg2I5 with rare [Hg2I5] dimers was synthesized by the flux method at 573 K, and it shows a reversible phase transition at a low temperature of ∼100 K to form the low-temperature phase α-CsHg2I5. The two phases crystallize in the same P21/c space group, with different crystal structures. β-CsHg2I5 is composed of rare [Hg2I5] dimers and [CsI11] polyhedral units, while α-CsHg2I5 is composed of [Hg4I11] and [CsI10] units. The experimental band gap of β-CsHg2I5 was found to be 2.58 eV. Owing to the presence of [Hg2I5]∞ pseudo-layers, β-CsHg2I5 exhibits large optical anisotropy with a calculated birefringence of 0.132@1064 nm. Meanwhile, β-CsHg2I5 is a congruent compound and the congruent point is ∼481 K. Theoretical calculations indicate that the rare [Hg2I5] dimer is a nonlinear active unit, which can be used as a new fundamental building block for the design of advanced nonlinear optical materials. Moreover, a CsI–HgI2 pseudo-binary diagram was drawn. The results enrich the structural diversity of Hg-based halides and give some insights into the development of new functional materials based on rare [Hg2I5] dimers.

CAS / MDL: 7789-17-5 7774-29-0
研究领域: 材料科学 · 晶体学 · 光学
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Materials · 2017 ·Vol. 10 ·期 11 ·1332 · IF 2.654

Solution Growth of Two-Dimensional Bi2Se3 Nanosheets for Two-Color All-Optical Switching

Xinghua Wu,Chao Tan,Qingkai Wang,Yanyan Guo,Dianyuan Wang,Yongqian Wang,Dawei Meng

Two-dimensional Bi2Se3nanosheets with hexagonal shape are synthesized by a solution synthetic route. The Bi2Se3nanosheets are 120 nm in edge width and 7 nm in thickness. The size of the Bi2Se3nanosheets can be controlled by choosing different kinds of reducing agents including hydroxylamine and ethylenediamine. Subsequently, we demonstrate a configuration of two-color all-optical switching based on plasma channels effect using the as-synthesized Bi2Se3nanosheets as an optical media. The signal light can be modulated as two states including dot and ring shape by changing the intensity of control light. The modulated signal light exhibits excellent spatial propagation properties. As a type of interesting optical material, ultrathin two-dimensional Bi2Se3nanosheets might provide an effective option for photoelectric applications.Keywords:nanoparticles;optical materials and properties;nanocrystalline;optical switching

研究领域: 材料科学 · 光学
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