Science China-Materials
·
2022
·Vol. 65
·期 9
·2585-2590
·
IF 8.64
Chen Zilong,Zeng Hao,Chu Dongdong,Zhang Fangfang,Cheng Meng,Yang Zhihua,Pan Shilie
A new deep-ultraviolet (DUV) birefringent crystal, LiB 5 O 5 F 2 (OH) 4 (LBOFH), was designed and synthesized by a high-temperature solution method. Its structure features a [B 5 O 5 F 2 (OH) 4 ] anionic group that is constructed by four π-conjugated units, i.e., two [BO 3 ] units and two [BO(OH) 2 ] units connected by the [BO 2 F 2 ] unit, which forms a near-coplanar configuration. The group exhibits large anisotropic polarizability and highest unoccupied molecular orbital-lowest unoccupied molecular orbital (HUMO-LUMO) gap, thus providing a good balance between the large birefringence (0.124 at 546 nm) and band gap (7.99 eV) in LBOFH. This work suggests new possibilities for the design and fabrication of advanced DUV birefringent crystals using the novel anionic group and the expansion of their alternative system with new hydroxyfluorooxoborates.
研究领域:
材料科学
·
晶体学
✓ 已验证
产品关联
DOI
高影响因子
CRYSTAL GROWTH & DESIGN
·
2025
·
IF 3.4
Dongling Yang,Hongyuan Sha,Qinghe Li,Lilin Yang,Zujian Wang,Rongbing Su,Chao He,Bin Su,Xiaoming Yang,Xifa Long
Birefringent crystals are important optical functional materials widely used in light polarization modulation. Generally, the larger the birefringence, the higher the modulation efficiency. Thus, it is necessary to develop crystals with a large birefringence. Herein, two planar groups, phenyl and acyl, were adopted to generate strong optical anisotropy. Then, three urea-based crystals, N-phenylurea, N,N′-diphenylurea, and acetylurea, were found, all of which exhibit a large birefringence of 0.169, 0.266, and 0.315 (at 546 nm), respectively. Although the birefringence improvement is facilitated by phenyl groups, it is restricted by their incomplete coplanar arrangement, while it achieves the maximum by acyl groups and their coplanar arrangement with urea. Moreover, these crystals all exhibit a wide ultraviolet transparency window. Therefore, this work develops three birefringent crystal candidates and also provides some new insights, which will facilitate the exploration of novel birefringent crystals.
研究领域:
材料科学
·
光学
✓ 已验证
产品关联
DOI
高影响因子
INORGANIC CHEMISTRY
·
2024
·
IF 4.3
Xiaodong Zhang,Bohui Xu,Deshuai Xiao,Linfeng Dong,Xinyuan Zhang,Pifu Gong,Zheshuai Lin
In modern optics, birefringent materials that can manipulate light polarization play important roles in lasers and information fields. The search for ultraviolet (UV) crystals with large birefringence is the focus of attention in the field of optical materials. In this work, we synthesized two birefringent crystals, C2H12N6C4O4·2H2O and Na2C4O4·3H2O, containing planar π-conjugated [C4O4]2– groups. Attributed to the large structural anisotropy and relatively ordered arrangement of the [C4O4]2– groups, C2H12N6C4O4·2H2O and Na2C4O4·3H2O possess large birefringence of 0.20–0.21 at 1064 nm. Meanwhile, they exhibit short ultraviolet cutoff edges at about 280–300 nm, corresponding to the large band gaps of 4.35 and 4.24 eV, respectively. Using structural analysis and first-principles calculations, the origins of such large birefringence are investigated and discussed. This work provides two potential UV birefringent crystals and prompts the search for novel birefringent materials.
研究领域:
光学材料
·
晶体学
·
材料科学
✓ 已验证
DOI
高影响因子
Inorganic Chemistry Frontiers
·
2023
·Vol. 10
·期 11
·3367-3374
·
IF 7
Chao Zhang,Mao-Yin Ran,Xin Chen,Sheng-Hua Zhou,Hua Lin,Yi Liu
Birefringent crystals are highly desirable for their important applications in optoelectronic fields. However, the rational design of novel birefringent materials with large birefringence (Δn) has always faced great challenges. In this work, a novel quaternary thioarsenate, CsZnAsSe3, has been rationally designed and successfully obtained based on a stereochemically active lone pair (SCALP) induction strategy via the facile surfactant–thermal method. In the structure of CsZnAsSe3, isolated [AsSe3] triangular pyramids and one-dimensional infinite [Zn–Se]∞ chains are alternately connected with each other to generate a two-dimensional [ZnAsSe3]− layer and the charge-balanced Cs+ cations are occupied between them. The introduction of SCALP cations not only induces structural dimension transformation but also significantly improves optical anisotropy. Remarkably, CsZnAsSe3 exhibits a significantly increased Δn (ca. 0.223), which is about 28 times that of the previously reported three-dimensional parent CsZn4Ga5Se12 (ca. 0.008). Moreover, detailed theoretical investigation has aided in the deep understanding of the electronic structure and the source of large Δn. This research offers a useful structural design strategy for discovering new chalcogenides with enhanced Δn in the future.
研究领域:
材料科学
·
光学
✓ 已验证
产品关联
DOI
高影响因子
Inorganic Chemistry Frontiers
·
2022
·Vol. 9
·期 23
·6067-6074
·
IF 7.779
Man Zhang,Bingbing Zhang,Daqing Yang,Ying Wang
A new birefringent crystal [C(NH2)3]2S2O8 was obtained by combining the π-conjugated [C(NH2)3] cation and the [S2O8] groups with localized O–O π-bonds. Optical measurements show that the UV cutoff wavelength of [C(NH2)3]2S2O8 is 222 nm, and its birefringence is 0.102 at 546 nm. The calculated results show that its large birefringence is attributed to the synergistic effect of the [C(NH2)3] and [S2O8] units, which is the first case among known birefringent crystals. These results provide new insights into the design of superior birefringent materials.
研究领域:
材料科学
·
光学
✓ 已验证
DOI
高影响因子
DALTON TRANSACTIONS
·
2023
·Vol. 52
·期 40
·14303-14308
·
IF 4
Zhiyuan Zhang,Die Xu,Zhencheng Wu,Mei Hu,Xin Su,Yineng Huang
The combination of π-conjugated groups [NO3] and Cl-centered polyhedra generates a new birefringent crystal with a perovskite-related framework, KRb2(NO3)2Cl, which is the first alkali metal nitrate chloride synthesized by a mild hydrothermal method. It crystallizes in the orthorhombic space group pbam (no. 55). In addition, KRb2(NO3)2Cl crystals with dimensions up to 7 × 1.5 × 1 mm3 were grown. Notably, KRb2(NO3)2Cl has a short UV cut-off edge (below 228 nm) and a significantly enhanced birefringence (Δn = 0.084 at 1064 nm). Theoretical calculations indicate that the birefringence enhancement mainly derives from π-conjugated [NO3] plane triangles.
研究领域:
材料科学
·
晶体学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
Small
·
2024
·Vol. 20
·期 37
·2400549
·
IF 13
Yaoguo Shen,Mingliang Ding,Gang Chen,Yingjie Luo,Sangen Zhao,Junhua Luo
A large optical anisotropy is the most important parameter of birefringent crystals. Integrating π-conjugated groups with large polarizable anisotropy into target compounds is a common strategy for constructing brilliant birefringent crystals. However, the key problem is to enhance the density of the birefringence-active units and further arrange them parallelly. In this study, three novel birefringent crystals, C 9 H 7 NBrX (X = Cl, Br, NO 3 ), are successfully synthesized by introducing a new birefringence-active [C 9 H 7 NBr] + unit. Interestingly, these compounds feature similar layered structures but exhibit different optical anisotropies at 550 nm (0.277 for C 9 H 7 NBrCl, 0.328 for C 9 H 7 NBrBr, and 0.401 for C 9 H 7 NBrNO 3 ) owing to the different anions in them. Particularly, the small trigonal planar NO 3 anions perfectly fill the interstices of the π-conjugated [C 9 H 7 NBr] + groups with large optical anisotropy, with the resulting compound C 9 H 7 NBrNO 3 showing superior optical properties compared to the others. The above findings provide strategies for designing new optical materials with large birefringence by matching birefringence-active groups of different sizes. Additionally, a new theory for predicting and comparing the polarizability anisotropy of compounds is proposed, which would guide in exploring large birefringent crystals.
研究领域:
材料科学
·
光学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
INORGANIC CHEMISTRY
·
2023
·
IF 4.6
Meng Cheng,Congcong Jin,Wenqi Jin,Xueling Hou
Borates provide an excellent platform for investigating the optical nonlinearity and linearity of crystals as photoelectric functional materials. In our work, borate derivatives with isolated [B3O3] six-membered rings as structural features are the preferred system due to their simple functional units and excellent properties. Herein, by utilizing the target-oriented synthesis, a series of borate derivatives, A2[B3O3F4(OH)] (A= NH4, Rb, Cs) (ABOFH), K2.3Cs0.7B3O3F6 (KCsBOF), and Cs3[B3O3(OH)3]Cl3 (CsBOHCl), with novel heteroanionic groups containing [BOxF4–x] (x = 0–3) and/or [BO2(OH)] units were obtained. ABOFH, KCsBOF, and CsBOHCl construct different two-dimensional pesudolayers featuring [B3O3F4(OH)], [B3O3F6], and [B3O3(OH)3] units, respectively. Also, the optical properties and the arrangement information of these anionic groups were studied. Among the total five compounds, (NH4)2[B3O3F4(OH)] and Cs3[B3O3(OH)3]Cl3 with enlarged birefringence and sufficient band gaps were screened out as promising birefringent crystals due to the optimally aligned configuration of birefringence-active heteroanionic units. The successful results of target-oriented synthesis indicate a more profound conclusion that the borate system now has more diversified structural chemistry, and an effective strategy was proposed to modify the arrangement and species of anionic units to optimize the performance of optical crystals.
研究领域:
材料科学
·
晶体化学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
CRYSTENGCOMM
·
2025
·
IF 2.6
Yue Wang,Xuezhong Li,Zihao Lou,Yong-Fang Shi
A new quaternary chalcogenide in A–MIIIA–MIVA–Q System, CsGaGe3S8, was synthesized via a high-temperature solid-state reaction. It crystallizes in the monoclinic system (space group P21/c) and features 2D ∞2 [(Ga/Ge)8S16]²⁻ layers with Cs⁺ ions in the interlayer regions. The material exhibits excellent thermodynamic stability (up to 600 °C) and a broad UV–Vis–IR transmission range (0.33–23 μm), with a band gap of 3.38 eV and birefringence of 0.043 at 546 nm. Compared to AgGaS2, CsGaGe3S8 offers a wider transmission range and larger birefringence, making it a promising candidate for infrared birefringent crystals. First-principles calculations further elucidate its structure-property relationship.
研究领域:
材料科学
·
光学工程
✓ 已验证
产品关联
DOI
高影响因子
Laser & Photonics Reviews
·
2025
·
IF 10
Yaoguo Shen,Jiajia Xiong,Mengqing Wu,Mengcai Li,Yingwu Zhou,Yanjie Zhang
Here, three crystals are successfully synthesized by introducing a high polarizability birefringence-active gene. Theoretical calculations reveal that they demonstrate birefringence values of 0.89, 0.85 and 0.82 at 550 nm, respectively, significantly exceeding those of currently available commercial birefringent crystals. This study proposes a method that employs a conformational-locking strategy to fix the planar conformation of π -conjugated groups, thereby enhancing the birefringence value.
研究领域:
材料科学
·
光学材料
·
晶体工程
·
凝聚态物理
·
非线性光学
✓ 已验证
产品关联
DOI
高影响因子
Inorganic Chemistry Frontiers
·
2022
·Vol. 9
·期 24
·6441-6447
·
IF 7.779
Xuehua Dong,Ying Long,Ling Huang,Liling Cao,Daojiang Gao,Jian Bi,Guohong Zou
Exploring excellent ultraviolet (UV) birefringent crystals is of great significance. Herein, two novel UV organic–inorganic hybrid birefringent materials [C(NH2)3]2Sb3F3(HPO3)4 ((Gu)2Sb3F3(HPO3)4) and [C(NH2)3]SbFPO4·H2O ((Gu)SbFPO4·H2O) have been successfully synthesized by a facile hydrothermal reaction. Interestingly, though both the two title compounds exhibit similar 2D layered structures, and possess the same functional moieties including SbO4F square pyramids and C(NH2)3 planar groups, they exhibit significantly different optical anisotropies. (Gu)2Sb3F3(HPO3)4 exhibits a small birefringence of 0.027@546 nm while (Gu)SbFPO4·H2O exhibits a large birefringence of 0.151@546 nm. Detailed structural analysis along with calculations revealed that the large optical anisotropy differentiation originating from the anion-directing regulation structures affects the [HPO3]2− and [PO4]3− anionic groups. This work opens a new door to explore novel high-performance structure-driven functional materials in the future.
研究领域:
材料科学
·
光学
✓ 已验证
DOI
高影响因子
INORGANIC CHEMISTRY
·
2025
·
IF 4.7
Shiyi Wang,Yingzi Zhang,Yuxin Yan,Xuehua Dong,Liling Cao,Ling Huang,Guohong Zou
Birefringent crystals are essential in laser modulation, optical communication, and imaging systems. This paper reports two tellurium-based hybrid birefringent crystals─(C12H9N2)2TeBr6·2H2O and (C12H9N2)2TeBr6─composed of Te4+-centered octahedral units and [C12H9N2]+ π-conjugated organic cations. The hydrate converts to the anhydrate via thermal dehydration, a process in which water removal eliminates steric hindrance, promoting a more ordered molecular arrangement. Optical measurements show significantly enhanced birefringence after dehydration. The value at 546 nm increases from 0.17 to 0.31, nearly doubling. These findings highlight the potential of such materials for advanced optical applications that require high birefringence.
✓ 已验证
产品关联
DOI
PubMed
高影响因子
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