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Papers citing First-principles materials applications and design of nonlinear optical crystals

  1. The Next‐Generation of Nonlinear Optical Materials: Rb3Ba3Li2Al4B6O20F—Synthesis, Characterization, and Crystal Growth

    Advanced Optical Materials · 2017

    Hongwei Yu, Joshua Young, Hongping Wu, Weiguo Zhang, James M. Rondinelli, P. Shiv Halasyamani

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  2. Absorption and Mid-IR SHG in Two-Dimensional Halogen and Hydrogen Saturated Silicene Series

    The Journal of Physical Chemistry C · 2017

    Guoyu Yang, Kechen Wu

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  3. A beryllium-free deep-UV nonlinear optical material CsNaMgP 2 O 7 with honeycomb-like topological layers

    Journal of Materials Chemistry C · 2018

    Sangen Zhao, Yi Jin Yang, Yaoguo Shen, Xiaodong Wang, Qingran Ding, Xianfeng Li, Yanqiang Li, Lina Li, Zheshuai Lin, Junhua Luo

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  4. Design and synthesis of a nonlinear optical material BaAl 4 S 7 with a wide band gap inspired from SrB 4 O 7

    Journal of Materials Chemistry C · 2018

    Dajiang Mei, Jian‐Qiao Jiang, Fei Liang, Shiyan Zhang, Yuandong Wu, Congting Sun, Dongfeng Xue, Zheshuai Lin

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  5. First principle study of nonlinear optical crystals

    Acta Physica Sinica · 2018

    Fei Liang, Lin Zhe-Shuai, Yicheng Wu

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  6. Pb 3 (SeO 3 )Br 4 : a new nonlinear optical material with enhanced SHG response designed via an ion-substitution strategy

    Dalton Transactions · 2018

    Xiaoxiao Wang, Xingxing Jiang, Hongming Liu, Lei Yang, Zheshuai Lin, Zhanggui Hu, Xiang‐Gao Meng, Xingguo Chen, Jingui Qin

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  7. A novel photocatalytic water splitting solar-to-hydrogen energy conversion: Non-centro-symmetric borate CsZn2B3O7 photocatalyst

    Journal of Alloys and Compounds · 2018

    A.H. Reshak

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  8. Synthesis, crystal structure and characterizations of a new diphosphate Rb2CaP2O7

    Journal of Alloys and Compounds · 2018

    Yi Jin Yang, Pifu Gong, Siyang Luo, Qian Huang, Zheshuai Lin

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  9. Designing Two-Dimensional KBBF Family Second-Harmonic Generation Monolayers

    The Journal of Physical Chemistry C · 2018

    Guoyu Yang, Kechen Wu

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  10. Beryllium-Free Nonlinear-Optical Crystals A 3 Ba 3 Li 2 Ga 4 B 6 O 20 F (A = K and Rb): Members of the Sr 2 Be 2 (BO 3 ) 2 O Family with a Strong Covalent Connection between the ∞ 2 [Li 2 Ga 4 B 6 O 20 F] 9– Double Layers

    Inorganic Chemistry · 2018

    Xianghe Meng, Fei Liang, Mingjun Xia, Zheshuai Lin

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  11. The relationship between covalent bonds and the optical response in a nonpolar family ATeMoO 6 (A=Mg, Zn, Cd): A Berry-phase investigation

    Journal of Solid State Chemistry · 2018

    Qiaoqiao Zhang, Qun Jing, Haiming Duan, Haibin Cao

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  12. NH4Be2BO3F2 and γ‐Be2BO3F: Overcoming the Layering Habit in KBe2BO3F2 for the Next‐Generation Deep‐Ultraviolet Nonlinear Optical Materials

    Angewandte Chemie International Edition · 2018

    Guang Peng, Ning Ye, Zheshuai Lin, Lei Kang, Shilie Pan, Min Zhang, Chensheng Lin, Xifa Long, Min Luo, Yu Chen, Yu‐Huan Tang, Feng Xu, Tao Yan

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  13. NH4Be2BO3F2 and γ‐Be2BO3F: Overcoming the Layering Habit in KBe2BO3F2 for the Next‐Generation Deep‐Ultraviolet Nonlinear Optical Materials

    Angewandte Chemie · 2018

    Guang Peng, Ning Ye, Zheshuai Lin, Lei Kang, Shilie Pan, Min Zhang, Chensheng Lin, Xifa Long, Min Luo, Yu Chen, Yu‐Huan Tang, Feng Xu, Tao Yan

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  14. Two-Dimensional Deep-Ultraviolet Beryllium-Free KBe2BO3F2 Family Nonlinear-Optical Monolayer

    Inorganic Chemistry · 2018

    Guoyu Yang, Kechen Wu

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  15. Prediction and Characterization of NaGaS2, A High Thermal Conductivity Mid-Infrared Nonlinear Optical Material for High-Power Laser Frequency Conversion

    Inorganic Chemistry · 2018

    Dianwei Hou, Arun S. Nissimagoudar, Qiang Bian, Kui Wu, Shilie Pan, Wu Li, Zhihua Yang

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  16. The Anisotropic Thermal Expansion of Non-linear Optical Crystal BaAlBO3F2 Below Room Temperature

    Frontiers in Chemistry · 2018

    Xingxing Jiang, Naizheng Wang, Мaxim S. Моlokeev, Wei Wang, Shibin Guo, Rongjin Huang, Laifeng Li, Zhanggui Hu, Zheshuai Lin

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  17. Two Novel Deep‐Ultraviolet Nonlinear Optical Crystals with Shorter Phase‐Matching Second Harmonic Generation than KBe2BO3F2: A First‐Principles Prediction

    physica status solidi (RRL) - Rapid Research Letters · 2018

    Lei Kang, Fei Liang, Pifu Gong, Zheshuai Lin, Feng Liu, Bing Qiang Huang

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  18. Structure and Optical Properties of the Li2In2GeSe6 Crystal

    The Journal of Physical Chemistry C · 2018

    Alexander Yèlisseyev, Мaxim S. Моlokeev, Xingxing Jiang, P. Krinitsin, L. I. Isaenko, Zheshuai Lin

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  19. Fluorooxoborates: Ushering in a New Era of Deep Ultraviolet Nonlinear Optical Materials

    Chemistry - A European Journal · 2018

    Guopeng Han, Ying Wang, Bingbing Zhang, Shilie Pan

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  20. The must-have and nice-to-have experimental and computational requirements for functional frequency doubling deep-UV crystals

    Nature Communications · 2018

    P. Shiv Halasyamani, James M. Rondinelli

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  21. Synthesis and Characterization of the First Tin Fluoride Borate Sn3[B3O7]F with Second Harmonic Generation Response

    Chemistry - A European Journal · 2018

    Sandra Schönegger, Stephan G. Jantz, Andreas Saxer, Lkhamsuren Bayarjargal, Björn Winkler, Florian Pielnhofer, Henning A. Höppe, Hubert Huppertz

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  22. Removal of A-Site Alkali and Alkaline Earth Metal Cations in KBe2BO3F2-Type Layered Structures To Enhance the Deep-Ultraviolet Nonlinear Optical Capability

    Inorganic Chemistry · 2018

    Lei Kang, Zheshuai Lin, Feng Liu, Bing Qiang Huang

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  23. Phase transition in BaThO3 from Pbnm to Ibmm turn the fundamental energy band gap from indirect to direct

    Journal of Alloys and Compounds · 2018

    A.H. Reshak, Z.A. Alahmed, Jiří Bíla

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  24. Synthesis, Structure, and Properties of the Non-Centrosymmeteric Compound LiNaRbB5O8(OH)2

    Crystal Growth & Design · 2018

    Yi Jin Yang, Yi Qiu, Pifu Gong, Qian Huang, Sangen Zhao, Siyang Luo, Junliang Sun, Zheshuai Lin

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  25. Recent advances and future perspectives on infrared nonlinear optical metal halides

    Coordination Chemistry Reviews · 2018

    Pifu Gong, Fei Liang, Lei Kang, Xingguo Chen, Jingui Qin, Yicheng Wu, Zheshuai Lin

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  26. Cyano-Based Materials with Giant Optical Anisotropy and Second Harmonic-Generation Effect

    Inorganic Chemistry · 2018

    Lei Kang, Fei Liang, Zheshuai Lin, Feng Liu, Bing Qiang Huang

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  27. Pb 2 GaF 2 (SeO 3 ) 2 Cl: Band Engineering Strategy by Aliovalent Substitution for Enlarging Bandgap while Keeping Strong Second Harmonic Generation Response

    Journal of the American Chemical Society · 2018

    Fengguang You, Fei Liang, Qian Huang, Zhanggui Hu, Yicheng Wu, Zheshuai Lin

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  28. Prediction of MCO [M = S, (Cl2B)3B] Systems with Giant Optical Birefringence and Nonlinearity in the Deep-Ultraviolet Region

    Inorganic Chemistry · 2018

    Lei Kang, Fei Liang, Zheshuai Lin, Bing Qiang Huang

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  29. A 2 Bi 2 (SO 4 ) 2 Cl 4 (A = NH 4 , K, Rb): achieving a subtle balance of the large second harmonic generation effect and sufficient birefringence in sulfate nonlinear optical materials

    Journal of Materials Chemistry C · 2019

    Kaichuang Chen, Yi Jin Yang, Guang Peng, Shunda Yang, Tao Yan, Huixin Fan, Zheshuai Lin, Ning Ye

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  30. Ag 7 TaSe 6 : a new noncentrosymmetric selenide with fascinating “three in one” coordination modes and a strong second harmonic generation response

    Journal of Materials Chemistry C · 2019

    Zhuang Li, Shengzi Zhang, Wenlong Yin, Kaijin Kang, Yangwu Guo, Wenhao Xing, Zheshuai Lin, Jiyong Yao, Yicheng Wu

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  31. From centrosymmetric to noncentrosymmetric: cation-directed structural evolution in X 3 ZnB 5 O 10 (X = Na, K, Rb) and Cs 12 Zn 4 (B 5 O 10 ) 4 crystals

    Inorganic Chemistry Frontiers · 2019

    Tuohetijiang Baiheti, Shujuan Han, Abudukadi Tudi, Zhihua Yang, Hualiang Yu, Shilie Pan

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  32. Lone pair effects on ternary infrared nonlinear optical materials

    Physical Chemistry Chemical Physics · 2019

    Ruonan Yin, Cong Hu, Bing‐Hua Lei, Shilie Pan, Zhihua Yang

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  33. Metal-free perovskites for non linear optical materials

    Chemical Science · 2019

    Thomas W. Kasel, Zeyu Deng, Austin M. Mroz, Christopher H. Hendon, Keith T. Butler, Pieremanuele Canepa

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  34. Two-dimensional nonlinear optical materials predicted by network visualization

    Molecular Systems Design & Engineering · 2019

    Guoyu Yang, Kechen Wu

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  35. Broadening Frontiers of Infrared Nonlinear Optical Materials with π-Conjugated Trigonal-Planar Groups

    Chemistry of Materials · 2019

    Zhuang Li, Yi Jin Yang, Yangwu Guo, Wenhao Xing, Xiaoyu Luo, Zheshuai Lin, Jiyong Yao, Yicheng Wu

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  36. Artificial Second-Order Nonlinear Optics in a Centrosymmetric Optical Material BiVO4: Breaking the Prerequisite for Nonlinear Optical Materials

    ACS Omega · 2019

    Ying Xie, Fei Liang, Bo Zhang, Binghui Ge, Haohai Yu, Zheshuai Lin, Zeyan Wang, Huaijin Zhang, Baibiao Huang, Jiyang Wang

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  37. Li2CsB7O10(OH)4: A Deep-Ultraviolet Nonlinear-Optical Mixed-Alkaline Borate Constructed by Unusual Heptaborate Anions

    Inorganic Chemistry · 2019

    Jianhao Huang, Congcong Jin, Pei-Li Xu, Pifu Gong, Zheshuai Lin, Jian‐Wen Cheng, Guo‐Yu Yang

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  38. ASbF3Cl (A = Rb, Cs): Structural Evolution from Centrosymmetry to Noncentrosymmetry

    Crystal Growth & Design · 2019

    Pifu Gong, Yi Jin Yang, Fengguang You, Xinyuan Zhang, Gaomin Song, Shengzi Zhang, Qian Huang, Zheshuai Lin

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  39. Lone‐Pair Enhanced Birefringence in an Alkaline‐Earth Metal Tin(II) Phosphate BaSn 2 (PO 4 ) 2

    Chemistry - A European Journal · 2019

    Yi Jin Yang, Yi Qiu, Pifu Gong, Lei Kang, Gaomin Song, Xiaomeng Liu, Junliang Sun, Zheshuai Lin

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  40. Growth, Structure, and Optical Properties of Nonlinear LiGa 0.55 In 0.45 Te 2 Single Crystals

    Crystal Growth & Design · 2019

    P. Krinitsin, Alexander Yèlisseyev, Xingxing Jiang, Lyudmila I. Isaenko, Мaxim S. Моlokeev, Zheshuai Lin, Alexey M. Pugachev

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  41. Four new deep ultraviolet borates with isolated B12O24 groups: Synthesis, structure, and optical properties

    Journal of Solid State Chemistry · 2019

    Tuohetijiang Baiheti, Shujuan Han, B. Bashir, Zhihua Yang, Y. Wang, Hongwei Yu, Shilie Pan

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  42. Refractive Index Modulates Second-Harmonic Responses in RE 8 O(CO 3 ) 3 (OH) 15 X (RE = Y, Lu; X = Cl, Br): Rare-Earth Halide Carbonates as Ultraviolet Nonlinear Optical Materials

    Chemistry of Materials · 2019

    Liling Cao, Yunxia Song, Guang Peng, Min Luo, Yi Jin Yang, Chensheng Lin, Dan Zhao, Feng Xu, Zheshuai Lin, Ning Ye

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  43. Two Deep Ultraviolet Hydrated Borate Crystals: Centrosymmetric LiRbB5O8(OH)·H2O and Non-Centrosymmetric K2B5O8(OH)·2H2O

    Crystal Growth & Design · 2019

    Yutong Shi, Min Luo, Chensheng Lin, Guang Peng, Ning Ye

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  44. KNa 4 B 2 P 3 O 13 : A Deep-Ultraviolet Transparent Borophosphate Exhibiting Second-Harmonic Generation Response

    Inorganic Chemistry · 2019

    Yi Jin Yang, Pifu Gong, Qian Huang, Gaomin Song, Xiaomeng Liu, Zheshuai Lin

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  45. Poly(difluorophosphazene) as the First Deep‐Ultraviolet Nonlinear Optical Polymer: A First‐Principles Prediction

    Angewandte Chemie International Edition · 2019

    Lei Kang, Xinyuan Zhang, Fei Liang, Zheshuai Lin, Bing Qiang Huang

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  46. Poly(difluorophosphazene) as the First Deep‐Ultraviolet Nonlinear Optical Polymer: A First‐Principles Prediction

    Angewandte Chemie · 2019

    Lei Kang, Xinyuan Zhang, Fei Liang, Zheshuai Lin, Bing Qiang Huang

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  47. Synthesis, experimental and computational spectroscopic investigations of third-order nonlinear optical material ( E )- N ′-(benzo[ d ][1,3]dioxol-5-ylmethylene)benzohydrazide

    Journal of Physics D Applied Physics · 2019

    M Uthayakumar, A. Pricilla Jeyakumari, A. Dhandapani, Vandana P. Shinde, M. Arivanandhan

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  48. Experiment and First-Principles Calculations of A2Mg2TeB2O10 (A = Pb, Ba): Influences of the Cosubstitution on the Structure Transformation and Optical Properties

    Inorganic Chemistry · 2019

    Ming Wen, Hongping Wu, Cong Hu, Zhihua Yang, Shilie Pan

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  49. Nitrate nonlinear optical crystals: A survey on structure-performance relationships

    Coordination Chemistry Reviews · 2019

    Xiaomeng Liu, Pifu Gong, Yi Jin Yang, Gaomin Song, Zheshuai Lin

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  50. Noncentrosymmetric Sulfide Oxide MZnSO (M = Ca or Sr) with Strongly Polar Structure as Novel Nonlinear Crystals

    The Journal of Physical Chemistry C · 2019

    A.H. Reshak, Nada Mutter Abbass, Jiří Bíla, Mohd Rafie Johan, Ivan V. Kityk

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