Article
Chemistry, Multidisciplinary
Lingli Wu, Chensheng Lin, Haotian Tian, Yuqiao Zhou, Huixin Fan, Shunda Yang, Ning Ye, Min Luo
Summary: In this study, an excellent UV nonlinear optical crystal was successfully synthesized through multicomponent modification, which exhibited a strong second harmonic generation response and a short phase-matching wavelength, as well as exceptional water resistance.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Article
Nanoscience & Nanotechnology
Mengfan Wu, Junwei Feng, Congwei Xie, Abudukadi Tudi, Dongdong Chu, Juanjuan Lu, Shilie Pan, Zhihua Yang
Summary: Novel structures of phosphate fluoride/fluorophosphate in BePO3F with good thermodynamic/dynamic stability and promising NLO-related properties are discovered via crystal structure prediction combined with first-principles calculations, providing new insights for exploring high-performance NLO materials.
ACS APPLIED MATERIALS & INTERFACES
(2022)
Review
Chemistry, Inorganic & Nuclear
Tao Ouyang, Yaoguo Shen, Sangen Zhao
Summary: Despite decades of efforts, accurately designing and synthesizing second-order nonlinear optical (NLO) crystals remains a challenge. KBe2BO3F2 (KBBF) is the only NLO material capable of generating deep ultraviolet light through direct second-harmonic generation, making it an ideal structural template for designing environmentally friendly candidates based on reported compounds. This review focuses on the accurate design and synthesis of high-performance NLO materials from a microscopic crystal structure perspective, aiming to provide insights into efficient and rapid design and synthesis of targeted compounds. Additionally, a new concept called the quality factor is proposed to comprehensively evaluate the overall performance of new ultraviolet NLO materials, considering requirements such as second-harmonic generation, cut-off edge, and birefringence. This concept enables a direct and convenient assessment of the practical NLO output capability of ultraviolet NLO materials.
CHINESE JOURNAL OF STRUCTURAL CHEMISTRY
(2023)
Article
Chemistry, Inorganic & Nuclear
Qiang Bian, Xueli Zuo, Zhikang Chen, Bingbing Zhang, Feng Peng, Tao Tao
Summary: In this study, two new structures within the KBBF family were designed, and one of them exhibited good second harmonic generation effect in the DUV region, suggesting its potential applications.
INORGANIC CHEMISTRY
(2022)
Article
Chemistry, Physical
Yang Zhou, Xingyu Zhang, Zheyao Xiong, Xifa Long, Yanqiang Li, Yangxin Chen, Xin Chen, Sangen Zhao, Zheshuai Lin, Junhua Luo
Summary: A new non-pi-conjugated deep-UV NLO material, K2Zn3(SO4)(HSO4)(2)F-4, has been successfully obtained by the hydrothermal method. It shows good phase matching properties and lower absorption edge, with a birefringence of 0.0126.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2021)
Article
Materials Science, Multidisciplinary
Hongyuan Sha, Junxin Xu, Zheyao Xiong, Zujian Wang, Rongbing Su, Chao He, Xiaoming Yang, Xifa Long, Ying Liu
Summary: This study proposes a new design strategy to optimize the KBBF structure and successfully design a new ferroelectric material, Li2KRb(SO4)2. This material exhibits high optical effects and ferroelectricity, and eliminates the layered structure, showing potential applications.
ADVANCED OPTICAL MATERIALS
(2022)
Article
Chemistry, Multidisciplinary
Ming Xia, Fuming Li, Miriding Mutailipu, Shujuan Han, Zhihua Yang, Shilie Pan
Summary: A new magnesium fluorooxoborate crystal with promising potential for deep-ultraviolet nonlinear optical applications has been synthesized, showing large nonlinearity and deep-ultraviolet phase matching wavelength, making it suitable for generating coherent light below 200 nm. The stability of the fluorooxoborate system with a general formula of MB5O7F3 (M=divalent metal) in retaining their crystallized space groups unchanged has been proposed. This demonstrates the critical performance enhancement compared to its isomorphic phases.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2021)
Article
Chemistry, Multidisciplinary
Chao Wu, Lin Lin, Tianhui Wu, Zhipeng Huang, Chi Zhang
Summary: The newly synthesized NaY(SO4)(2)·H2O sulfate exhibits excellent nonlinear optical properties and transparency, making it a promising material for deep-ultraviolet optical applications. Studies on its thermal stability, IR spectrum, and theoretical calculations further enhance our understanding of its optical properties and band structures.
Article
Materials Science, Multidisciplinary
Haotian. Tian, Chensheng Lin, Xin Zhao, Shenghao Fang, Han Li, Chao Wang, Ning Ye, Min Luo
Summary: KNO3SO3NH3 is a new polar non-centrosymmetric compound with a strong second-harmonic generation (SHG) response and large birefringence. The enhanced SHG response is attributed to the effect of hydrogen bond according to theoretical calculations. It also has the shortest absorption edge in the UV-visible spectrum among known materials with strong SHG responses.
MATERIALS TODAY PHYSICS
(2022)
Review
Chemistry, Inorganic & Nuclear
Junhui Dang, Dajiang Mei, Yuandong Wu, Zheshuai Lin
Summary: This article explores the development of NLO phosphates from the perspective of structure-property relationships, focusing on the structural motifs and their impact on SHG effect, cutoff edge, and PM output. The study suggests that integrating [LiO4] or [MgO4]/[MgO5] groups into phosphates may be an effective strategy to achieve a good balance between SHG effect and cutoff edge.
COORDINATION CHEMISTRY REVIEWS
(2021)
Article
Chemistry, Multidisciplinary
Haotian Tian, Ning Ye, Min Luo
Summary: For the first time, the polar covalent tetrahedron [SO2(NH2)(2)] is revealed as a new deep-ultraviolet (DUV) nonlinear optical (NLO)-active unit according to theoretical calculations. Sulfamide consisting of polar [SO2(NH2)(2)] units was confirmed as an excellent candidate as a DUV NLO crystal, achieving multiple optical performance records for non-pi-conjugated DUV NLO materials.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2022)
Article
Chemistry, Multidisciplinary
Haotian Tian, Chensheng Lin, Yuqiao Zhou, Xin Zhao, Huixin Fan, Tao Yan, Ning Ye, Min Luo
Summary: Ionic organic crystals with organic planar p-conjugated units are popular as nonlinear optical (NLO) materials. However, these crystals often have large birefringences and small band gaps. A new flexible p-conjugated unit, [C3H(CH3)O-4](2-), was theoretically revealed to have balanced optical properties. By designing a new NLO-favourable structure, a new ionic organic material, NH4[LiC3H(CH3)O-4], was obtained with a large SHG effect, suitable birefringence, and ultrawide band gap. This study contributes to the design of more NLO materials with balanced optical properties.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Review
Chemistry, Inorganic & Nuclear
Qing-Fen Li, Wei-Feng Chen, You-Zhao Lan, Jian-Wen Cheng
Summary: This review summarizes the recent developments of inorganic nano-crystalline Aluminoborates (ABOs) as UV and deep-UV nonlinear optical (NLO) materials. These ABOs can be classified into three types based on their compositions: aluminum oxyborates, alkali/alkaline earth metal aluminoborates, and alkali/alkaline earth metal aluminoborate fluorides and fluoroaluminoborates. The synthesis, structural features, NLO properties, and structure-performance relationships of these non-centrosymmetric ABOs are discussed, along with future perspectives in this field.
CHINESE JOURNAL OF STRUCTURAL CHEMISTRY
(2023)
Article
Chemistry, Multidisciplinary
Hao Li, Jingmei Min, Zhihua Yang, Zhenhai Wang, Shilie Pan, Artem R. Oganov
Summary: Deep-ultraviolet nonlinear optical (DUV NLO) materials are attracting increasing attention due to their structural diversity and complexity. The proposed layered 18-membered-ring (18MR) boron oxide B2O3 polymorphs exhibit unprecedentedly high second harmonic generation coefficient, making them potential high-performance DUV NLO materials. Specifically, 18MR-B2O3AB stands out with its exceptional SHG coefficient and birefringence, comparable to the advanced DUV NLO material KBe2BO3F2 and beta-BaB2O4.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2021)
Article
Multidisciplinary Sciences
Bingliang Cheng, Zijian Li, Yu Chu, Abudukadi Tudi, Miriding Mutailipu, Fangfang Zhang, Zhihua Yang, Shilie Pan
Summary: This paper reports a new nonlinear optical crystal that exhibits a large second harmonic generation response, a short cutoff edge, and sufficient birefringence for deep-ultraviolet phase matching. It has a similar structure to KBe2BO3F2 (KBBF) crystal but overcomes its limitations.
NATIONAL SCIENCE REVIEW
(2022)
Article
Nanoscience & Nanotechnology
Qingchen Wu, Fei Liang, Lei Kang, Jian Wu, Zheshuai Lin
Summary: Two-dimensional van der Waals transition metal ternary chalcogenides (TMTCs) have unique advantages in nano-NLO modulation compared to 2D transition metal dichalcogenides (e.g., MoS2). The layered Cu2MoS4 exhibits a rare sliding-modulated second harmonic effect with high fluctuation and a stable response to large strains.
ACS APPLIED MATERIALS & INTERFACES
(2022)
Article
Chemistry, Physical
Mingjun Xia, Lei Kang
Summary: Tourmaline is an important mineral with piezoelectric and pyroelectric properties, and a novel ultraviolet NLO crystal with unique chemical composition has been reported. The crystal exhibits good optical properties and potential for coherent beam output in the visible to UV regions.
JOURNAL OF ALLOYS AND COMPOUNDS
(2022)
Article
Materials Science, Multidisciplinary
Rui Shi, Lei Kang, Xiaojuan Bai, Yong Chen
Summary: The introduction of P-H covalent bonds on the surface of phosphorene through a hydrogenation approach inhibits oxidation without compromising photocatalytic performance, showcasing potential for enhanced applications in the field of photocatalysis.
SCIENCE CHINA-MATERIALS
(2022)
Article
Chemistry, Physical
Pifu Gong, Fei Liang, Lei Kang, Zheshuai Lin
Summary: This study focused on the non-linear optical properties of halides with unique diamond-like structures and predicted several combinations that meet the requirements for strong second-harmonic generation effects and large optical band gaps.
CHEMISTRY OF MATERIALS
(2022)
Article
Chemistry, Inorganic & Nuclear
Chunxiao Li, Lei Kang, Zheshuai Lin, Jiyong Yao
Summary: This study focuses on nonlinear-optical materials suitable for the 8-14 μm atmospheric transparent window and identifies arsenide as one of the most promising material systems for this application. By studying a novel arsenide Weyl material, CaAgAs, a modified powder SHG measurement method for narrow-band-gap materials has been developed and the SHG signal of CaAgAs has been successfully observed.
INORGANIC CHEMISTRY
(2022)
Review
Optics
Lei Kang, Zheshuai Lin
Summary: This article reviews the recent progress in experimental and theoretical research on deep-ultraviolet (DUV) nonlinear optical (NLO) crystals. It discusses the core concepts and stringent criteria for identifying qualified DUV phase-matched second-harmonic generation crystals. The article also explores the development of DUV NLO structure-property correlations from first principles and potential future directions for research.
LIGHT-SCIENCE & APPLICATIONS
(2022)
Article
Materials Science, Multidisciplinary
Hao Huo, Zheshuai Lin, Lei Kang
Summary: Nonlinear optical anionic group theory states that the anionic group mainly determines the NLO effect of materials. However, research shows that the AGa(2)Cl(7) (A = Ga+, In+) system exhibits significantly enhanced NLO polarizability due to the unique band structure and synergistic charge transfer effect between cations and anionic groups. Furthermore, monovalent Ga+/In+ cations induce enlarged birefringence, making them potential mid-infrared NLO materials.
MATERIALS TODAY PHYSICS
(2022)
Article
Chemistry, Multidisciplinary
Pei Li, Xiao Jiang, Menglin Huang, Lei Kang, Shiyou Chen, Adam Gali, Bing Huang
Summary: This article proposes an alternative strategy to intrinsically regulate the second-harmonic generation (SHG) of nonlinear optical (NLO) materials through defect engineering. The SHG susceptibility of KBBF material is demonstrated to be dramatically enhanced under specific growth conditions, comparable to other famous NLO crystals.
CELL REPORTS PHYSICAL SCIENCE
(2022)
Article
Chemistry, Physical
Jinjin Zhao, Hao Huo, Yingjie Zhao, Yangwu Guo, Meiqiu Dong, Yue Fu, Jingyuan Zhang, Zhixiang Gao, Lei Kang
Summary: In this article, chiral hybrid halide perovskites (R-/S-CLPEA)(4)Bi2I10 were synthesized and characterized, and their unique optical and spin properties were investigated. The experimental measurements confirmed the large nonlinear optical circular dichroism effect and strong spin-dependent charge transport. Theoretical simulations demonstrated the chirality-induced spin textures in the band structures. These perovskites showed potential for application in nonlinear optics and spintronics.
CHEMISTRY OF MATERIALS
(2023)
Article
Physics, Multidisciplinary
Xiao Jiang, Lei Kang, Jianfeng Wang, Bing Huang
Summary: Based on a two-band model, we propose a concept of the bulk electrophotovoltaic effect, which can continuously tune the in-plane shift current in a heteronodal-line system. By effectively controlling the radius of the nodal loop, the shift-vector components inside and outside the nodal loop can be continuously modulated, resulting in a giant bulk electrophotovoltaic effect.
PHYSICAL REVIEW LETTERS
(2023)
Article
Chemistry, Multidisciplinary
Qingchen Wu, Lei Kang, Zheshuai Lin
Summary: This research introduces a machine learning method to predict the lattice thermal conductivity of chalcogenides. By combining first-principles calculation and machine learning, new mid-IR NLO chalcogenides are discovered and structural chemistry knowledge for balancing thermal conductivity and NLO properties is extracted.
ADVANCED MATERIALS
(2023)
Review
Crystallography
Shihang Li, Lei Kang
Summary: This paper reports recent progress and material discoveries in exploring UV nonlinear optical (NLO) properties using nitride wide-bandgap semiconductors. The study emphasizes the structure-property correlations and summarizes the potential performance and application value of important nitride NLO crystals. Additionally, it discusses the advantages of nitrides in terms of optical transparency, second-harmonic-generation effects, and birefringent phase matching output wavelength limits, as well as current issues in theoretical outlook and experimental exploration.
Article
Chemistry, Physical
Chuan Tang, Siliang Chang, Qian Wu, Lei Kang, Kai Feng, Xianghe Meng, Shengqi Chu, Hongwei Huang, Mingjun Xia
Summary: The study investigated a new high-performance titanyl germanate anode, Rb4Li2TiOGe4O12 (RLTG), for lithium-ion storage properties. Due to the multi-electron reactions of Ti and Ge and the polyanion framework, RLTG exhibits a high discharge specific capacity and decent capacity retention performance. In addition, RLTG shows a good rate capability in a wide range of current densities. Furthermore, detailed analysis of discharge/charge behaviors was conducted using various techniques and calculations.
JOURNAL OF MATERIALS CHEMISTRY A
(2023)
Article
Chemistry, Multidisciplinary
Xuanlin Pan, Fan Liu, Zheshuai Lin, Lei Kang
Summary: This study uses a simplified dielectric model to uncover two key factors that affect the micro-optimization of transparent optical dispersion: the effective mass of excited states and the effective number of photo-responsive states. It proposes a method to improve the dispersion performance of classical phosphate UV-NLO crystals by substituting K+ and predicts the potential application of the optimized crystals in the solar-blind ultraviolet region.
Article
Materials Science, Multidisciplinary
Xiao Jiang, Lei Kang, Bing Huang
Summary: This study investigates the role of weak interlayer coupling in the second harmonic generation (SHG) effects of two-dimensional van derWaals systems using first-principles calculations. The results show that the interlayer hopping strength has a significant impact on the SHG susceptibility, indicating a potential controllability for SHG effects.
