CRYSTAL GROWTH & DESIGN
·
2025
·
IF 3.4
Yaqi Qin,Xiaoyu Feng,Jinkang Ma,Fanghao Xuan,Kaiwen Hu,Lifeng Cao,Dongwei Zhai,Bing Teng
Two novel chalcone crystals, 5MFTF (C15H11F3O2, P1) and 5MFTN (C14H11NO4, P1), were successfully synthesized by introducing trifluoromethyl and nitro substituents, respectively. Growth of the crystals was carried out by a slow evaporation solution method. The structures of the crystals were successfully verified by the results of 1H NMR, FT-IR, and powder XRD tests. The crystal stacking arrangements of 5MFTF and 5MFTN were characterized via a single-crystal X-ray diffraction (XRD) technique. The second-harmonic generation (SHG) measurements revealed that 5MFTF exhibited an SHG intensity 7.5 times that of potassium dihydrogen phosphate (KDP), while 5MFTN showed a SHG intensity 5.2 times that of KDP. The hyperpolarizability and FMOs were also calculated. In order to reveal the microscopic charge transfer mechanism in crystalline materials (5MFTF and 5MFTN), hole–electron analysis and interfragment charge transfer were calculated. 5MFTN crystal exhibited higher thermal decomposition temperatures compared to the other chalcone crystals (Tm ≈ 207 °C). All of these results indicate that the 5MFTF and 5MFTN crystals are promising for optical applications.
研究领域:
材料科学
·
光学材料
·
晶体工程
·
非线性光学
·
有机合成
✓ 已验证
DOI
高影响因子
CHEMISTRY OF MATERIALS
·
2023
·
IF 8.6
Congcong Chen,Xin Zhao,Yaping Gong,Yang Liu,Zhongwei Chen,Luming Zhang,Jian Chen,Zeyu Deng,Haipeng Lu,Min Luo,Pieremanuele Canepa,Lingling Mao
Hybrid two-dimensional (2D) halide perovskites have emerged as an important class of high-performance semiconductors because of their excellent physical properties and structural diversity. Here, we report a new family of hybrid 2D Ge-based perovskites that have the Dion–Jacobson structure type, with the general formula A(MA)n–1GenX3n+1, where A = 2-(aminomethyl)pyridinium (2AMPY), 3-(aminomethyl)pyridinium (3AMPY), 4-(aminomethyl)pyridinium (4AMPY), or 4-(aminomethyl)piperidinium (4AMP), X = Br or I, and n = 1 or 2. Single-crystal X-ray diffraction shows that most of the bromide structures are centrosymmetric, whereas the iodide analogues are all non-centrosymmetric. The optical band gaps are effectively regulated by the level of octahedral distortion of the corresponding [GeX6], where a larger distortion corresponds to a larger band gap. These compounds exhibit relatively weak photoluminescence, which can be observed at low temperatures. All of the Ge-based iodide perovskites exhibit good second-harmonic generation (SHG) responses, with the highest reaching 0.53 × AgGaS2 for (4AMPY)GeI4, where their particle-dependent SHG has been investigated. First-principles calculations of the SHG properties are in good agreement with the experimental results. Furthermore, layer transformation can be achieved from the (100)- to (110)-oriented configuration by mixing the halides, which is a rare example. These results showcase the versatility and diversity of employing an asymmetric dication and the Ge2+ metal to achieve SHG active non-centrosymmetric materials, providing new strategies for the design of lead-free alternatives with interesting photophysical properties.
研究领域:
材料科学
·
半导体物理
·
光电学
·
晶体学
✓ 已验证
DOI
高影响因子
Nanoscale
·
2025
·Vol. 17
·期 39
·23129-23138
·
IF 5.1
Mengya Li,Xinhui Yang,Chang Lu,Meili Long,Zhihui Chen,Haitao Chen,Xiaoming Yuan,Jun He
Anisotropic van der Waals (vdW) heterostructures are crucial for smart optoelectronic device development. Although transition metal dichalcogenides (TMDCs) like WS2 hold great potential for high-performance optoelectronic devices, their C3 rotational symmetry restricts polarization-sensitive applications. Crystal symmetry breaking of TMDCs by forming heterostructures is a powerful approach for achieving anisotropic optoelectronic properties. Considering the promising potential of the WS2/Te p–n heterostructure in broad photoresponse and enhanced nonlinearity, we successfully fabricated this heterostructure and investigated its anisotropic optical properties. The formation of the heterostructure induces interfacial symmetry breaking, and the interface shows twofold symmetry as confirmed by polarization-dependent second-harmonic generation (SHG) measurements. Moreover, the WS2/Te heterostructure exhibits enhanced SHG signals across the 850–1064 nm wavelength range. The interlayer anisotropic moiré potential induced by symmetry breaking leads to anisotropic Raman scattering and exciton emission with degrees of polarization (DOP) of 0.268 and 0.310. Furthermore, the heterostructure formation reduces intervalley scattering, enhancing valley polarization in WS2. In particular, the valley polarization degree of the trion in the heterostructure is 0.495 at 93 K. These results demonstrate the potential of the WS2/Te heterostructure for strong nonlinear optical responses and anisotropic optoelectronic properties, establishing a foundation for their broad application in next-generation photonic devices.
研究领域:
光电子学
·
纳米光子学
·
材料科学
·
非线性光学
·
凝聚态物理
✓ 已验证
产品关联
DOI
PubMed
高影响因子
DALTON TRANSACTIONS
·
2023
·
IF 4
Yi Shui,Zhengli Liang,Zhenhua Li,Jiahao Wan,Lehui Liu,Xingxing Jiang,Zheshuai Lin,Hongming Liu
Exploring feasible tactics to induce the formation of non-centrosymmetric (NCS) structures, especially from centrosymmetric (CS) structures, is essential for the development of nonlinear optical crystals with more potential. An NCS alkali metal-containing molybdenum iodate hydrate, namely, NaMoO3(IO3)(H2O), was designed based on the CS matrix NaMoO3(IO3) via introducing a water molecule into the structure. The introduction of one crystalline water molecule results in the rearrangement of Λ-shaped cis-[MoO4(IO3)2] units, and the proper array of the cis-[MoO4(IO3)2] units in NaMoO3(IO3)(H2O) results in its strong SHG response of 4.6 × KH2PO4. In addition, NaMoO3(IO3)(H2O) exhibits a wider optical bandgap of 3.44 eV and a larger birefringence of 0.231 than its matrix. Furthermore, the framework of NaMoO3(IO3)(H2O) is highly similar to that of α-KMoO3(IO3), with water molecules assisting Na+ cations in occupying the position of K+. However, due to the extra hydrogen bond of water molecules, the [MoO3(IO3)]∞ layers in NaMoO3(IO3)(H2O) retain a parallel-stacking arrangement, different from the antiparallel arrangement of layers in α-KMoO3(IO3) with a centric structure. This study confirms the feasibility of applying a water molecule to adjust the orientation of basic building block units to assemble an NCS structure based on CS crystals.
研究领域:
材料科学
·
光学
·
晶体学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
Chemical Science
·
2023
·Vol. 14
·期 46
·13568-13573
·
IF 8.4
Zhi-Xin Qiu,Zhe-Xiong Zheng,Xiao-Ming Jiang,Bin-Wen Liu,Guo-Cong Guo
Crystallographically, noncentrosymmetricity (NCS) is an essential precondition and foundation of achieving nonlinear optical (NLO), pyroelectric, ferroelectric, and piezoelectric materials. Herein, structurally, octahedral [SmCl6]3− is substituted by the acentric tetrahedral polyanion [CdBr4]2−, which is employed as a templating agent to induce centrosymmetric (CS)-to-NCS transformation based on the new CS supramolecule [Cd5P2][SmCl6]Cl (1), thereby providing the NCS supramolecule [Cd4P2][CdBr4] (2). Meanwhile, this replacement further results in the host 2D ∞2[Cd5P2]4+ layers converting to yield the twisted 3D ∞3[Cd4P2]2+ framework, which promotes the growth of bulk crystals. Additionally, phase 2 possesses well-balanced NLO properties, enabling considerable second-harmonic generation (SHG) responses (0.8–2.7 × AgGaS2) in broadband spectra, the thermal expansion anisotropy (2.30) together with suitable band gap (2.37 eV) primarily leading to the favorable laser-induced damage threshold (3.33 × AgGaS2), broad transparent window, and sufficient calculated birefringence (0.0433) for phase-matching ability. Furthermore, the first polyanion substitution of the supramolecule plays the role of templating agent to realize the CS-to-NCS transformation, which offers an effective method to rationally design promising NCS-based functional materials.
研究领域:
材料科学
·
光学
·
化学
✓ 已验证
DOI
高影响因子
DALTON TRANSACTIONS
·
2020
·Vol. 49
·期 40
·14046-14051
·
IF 4.174
Huanke Zhao,Pifu Gong,Xinyuan Zhang,Zheshuai Lin,Zhanggui Hu,Yicheng Wu
Two new isomorphic selenite bromides, namely Pb2GaF2(SeO3)2Br (1) and Pb2NbO2(SeO3)2Br (2), were synthesized by mild hydrothermal reactions. These two compounds crystallize in the noncentrosymmertric space group P21 and feature 3D structures consisting of 1D (Pb2Br)3+ cationic chains and 2D [Ga2F4(SeO3)4]6−/[Nb2O4(SeO3)4]6− anonic chains. As measured, 1 and 2 are phase-matchable and exhibit excellent second harmonic generation (SHG) responses of 4.5 and 1.4 times that of KDP, respectively. Moreover, these two compounds possess wide bandgaps (>3.17 eV) and high thermal stabilities (>425 °C), indicating their suitable performances as potential nonlinear optical materials. First-principle density functional theory (DFT) calculations were also performed to explicate the structure–property relationship.
研究领域:
材料科学
·
非线性光学
·
晶体学
✓ 已验证
DOI
高影响因子
危险品化学品经营许可证（带存储）