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RESEARCH PAPER · Inorganic Chemistry · 2015

First-Principles Design of a Deep-Ultraviolet Nonlinear-Optical Crystal from KBe2BO3F2 to NH4Be2BO3F2

Lei Kang, Siyang Luo, Guang Peng, Ning Ye, Yicheng Wu, Chuangtian Chen, Zheshuai Lin

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First-Principles Design of a Deep-Ultraviolet Nonlinear-Optical Crystal from KBe2BO3F2 to NH4Be2BO3F2OriginalChemInform Abstract: First‐Principles Design of a Deep‐Ultraviolet Nonlinear‐Optical Crystal from KBe2BO3F2 to NH4Be2BO3F2.0A new series of borophosphate phosphor Cd3BPO7:M (M = Ce3+, Tb3+, Mn2+) with tunable luminescence and energy transfer properties16NaBa4(GaB4O9)2X3 (X = Cl, Br) with NLO-Active GaO4 Tetrahedral Unit: Experimental and ab Initio Studies25Na 2 ZnGe 2 S 6 : A New Infrared Nonlinear Optical Material with Good Balance between Large Second-Harmonic Generation Response and High Laser Damage Threshold302Be2BO3F: A Phase of Beryllium Fluoride Borate Derived from KBe2BO3F2 with Short UV Absorption Edge46BiFSeO 3 : An Excellent SHG Material Designed by Aliovalent Substitution207Positive and negative contribution to birefringence in a family of carbonates: A Born effective charges analysis36Predicting Global Minimum in Complex Beryllium Borate System for Deep-ultraviolet Functional Optical Applications29SrNO3(OH)·H2O: A new member in strontium nitrate hydrate family with an ultraviolet cut-off edge7Analysis and prediction of mid-IR nonlinear optical metal sulfides with diamond-like structures335AZn2BO3X2(A = K, Rb, NH4; X = Cl, Br): New Members of KBBF Family Exhibiting Large SHG Response and the Enhancement of Layer Interaction by Modified Structures178Growth and Optical Properties of LixNa1–xBa12(BO3)7F4 Fluoride Borates with “Antizeolite” Structure35Finding the Next Deep-Ultraviolet Nonlinear Optical Material: NH4B4O6F1233Rational Design of Deep-Ultraviolet Nonlinear Optical Materials in Fluorooxoborates: Toward Optimal Planar Configuration157New Compressed Chalcopyrite-like Li2BaMIVQ4 (MIV = Ge, Sn; Q = S, Se): Promising Infrared Nonlinear Optical Materials245Effect of Li and NH4 doping on the crystal perfection, second harmonic generation efficiency and laser damage threshold of potassium pentaborate crystals11First principle study of nonlinear optical crystals15NH 4 B 11 O 16 (OH) 2 : a new ammonium borate with wavy-shaped polycyclic 2∞[B 11 O 16 (OH) 2 ] layers27Pb8M(BO3)6 (M = Mg, Ca): Two new borates with large birefringence activated by the ∞[Pb8B6O18]2- double layers6The relationship between covalent bonds and the optical response in a nonpolar family ATeMoO 6 (A=Mg, Zn, Cd): A Berry-phase investigation14NH4Be2BO3F2 and γ‐Be2BO3F: Overcoming the Layering Habit in KBe2BO3F2 for the Next‐Generation Deep‐Ultraviolet Nonlinear Optical Materials280NH4Be2BO3F2 and γ‐Be2BO3F: Overcoming the Layering Habit in KBe2BO3F2 for the Next‐Generation Deep‐Ultraviolet Nonlinear Optical Materials68Assisting the Effective Design of Polar Iodates with Early Transition-Metal Oxide Fluoride Anions206Syntheses, Structures, and Properties of Non-Centrosymmetric Quaternary Tellurates BiMTeO6 (M = Al, Ga)21Two Novel Deep‐Ultraviolet Nonlinear Optical Crystals with Shorter Phase‐Matching Second Harmonic Generation than KBe2BO3F2: A First‐Principles Prediction20Second-order nonlinear optical crystals with mixed anions250Tailoring nonlinear optical crystal borophosphate through the introduction of transition metal d orbitals for improving optical anisotropy and SHG response: a first-principles investigation1The First Examples of Lithium‐Containing Mixed‐Alkali Strontium Borates with Different Dimensional Anionic Architectures and Short Cutoff Edges16Removal of A-Site Alkali and Alkaline Earth Metal Cations in KBe2BO3F2-Type Layered Structures To Enhance the Deep-Ultraviolet Nonlinear Optical Capability46Intriguing Structural Transition Inducing Variable Birefringences in ABa2MS4Cl (A = Rb, Cs; M = Ge, Sn)32Why Some Noncentrosymmetric Borates Do Not Make Good Nonlinear Optical Materials: A Case Study with K3B5O8(OH)222A review on structure-performance relationship toward the optimal design of infrared nonlinear optical materials with balanced performances252Excellent Infrared Nonlinear Optical Crystals BaMO(IO3)5 (M = V, Ta) Predicted by First Principle Calculations9Cyano-Based Materials with Giant Optical Anisotropy and Second Harmonic-Generation Effect24Co-crystal LiCl·(H 3 C 3 N 3 O 3 ): a promising solar-blind nonlinear optical crystal with giant nonlinearity from coplanar π-conjugated groups78Exploration of the deep-ultraviolet nonlinear optical materials in the derivatives of KBe2BO3F27Li 2 ZnGeS 4 : a promising diamond-like infrared nonlinear optical material with high laser damage threshold and outstanding second-harmonic generation response43Three new phosphates, Cs8Pb4(P2O7)4, CsLi7(P2O7)2 and LiCa(PO3)3: structural comparison, characterization and theoretical calculation23The first barium lead oxychloride Ba27Pb8O8Cl54 with new isolated [Pb4O4] clusters3Deep-ultraviolet nonlinear optical crystal NaBe2BO3F2—Structure, growth and optical properties25Poly(difluorophosphazene) as the First Deep‐Ultraviolet Nonlinear Optical Polymer: A First‐Principles Prediction35Poly(difluorophosphazene) as the First Deep‐Ultraviolet Nonlinear Optical Polymer: A First‐Principles Prediction14Nitrate nonlinear optical crystals: A survey on structure-performance relationships146K5B19O31: A Deep‐Ultraviolet Congruent Melting Compound6First-Principles Design and Simulations Promote the Development of Nonlinear Optical Crystals299Transformation of Optical Anisotropy Origins in Perovskite-Related Materials: A First-Principles Study23An unprecedented planar π-conjugated [B 2 P 5 ] 5− group with ultra-large birefringence and nonlinearity: an ab initio study17Emergent Deep‐Ultraviolet Nonlinear Optical Candidates324Neue Kandidaten für die nichtlineare Optik im Tief‐UV‐Bereich43K 2.64 Cs 0.36 SiF 7 : a new fluorosilicate with a trans -perovskite structure3Volume Modulation of Nonlinear Optical Properties by Cation Substitution8Deep-ultraviolet nonlinear optical crystals by design: A computer-aided modeling blueprint from first principles45Realizing Deep-Ultraviolet Second Harmonic Generation by First-Principles-Guided Materials Exploration in Hydroxyborates111Sr5[BO2(OH)]3(OH)3F: First hydroxyborate fluoride with the [BO2(OH)]2− unit2Borates: A Rich Source for Optical Materials1089Predicting Berborite as Potential Deep-Ultraviolet Nonlinear Optical Crystal from First Principles29From thiophosphate to chalcohalide: mixed-anion AgS x Cl y ligands concurrently enhancing nonlinear optical effects and laser-damage threshold10La 6 Cd 0.75 Ga 2 Q 11.5 Cl 2.5 (Q = S and Se): two new nonlinear optical chalcohalides with a large laser-induced damage threshold15New nonlinear optical-active AAgGa 6 S 10 (A = K, Rb, Cs) featuring {[AgGa 6 S 10 ] − } ∞ framework and high laser damage threshold42Recent advances of oxyfluorides for nonlinear optical applications69To improve the key properties of nonlinear optical crystals assembled with tetrahedral functional building units46SrZnSnSe4: Synthesis, crystal structure and nonlinear optical properties14Deep‐Ultraviolet Nonlinear‐Optical van‐der‐Waals Beryllium Borates**6K5Mg2La3(BO3)6: An Efficient, Deep-Ultraviolet Nonlinear Optical Material70LiB2O3F: A Beryllium-Free Deep-Ultraviolet Nonlinear Optical Material Designed Based on a Boron-Rich Strategy61Novel van der Waals Deep‐UV Nonlinear Optical Materials3A 2 B 6 O 9 F 2 (A = NH 4 , K): new members of A 2 B 6 O 9 F 2 family with deep-UV cutoff edges and moderate birefringence17Sulfamide: A Promising Deep‐Ultraviolet Nonlinear Optical Crystal Assembled from Polar Covalent [SO2(NH2)2] Tetrahedra9Sulfamide: A Promising Deep‐Ultraviolet Nonlinear Optical Crystal Assembled from Polar Covalent [SO2(NH2)2] Tetrahedra84Inorganic nonlinear optical materials7Deep-ultraviolet nonlinear optical crystals: concept development and materials discovery181Deep Ultraviolet-Transparent Materials with Strong Second-Harmonic Response50NaHSO4·H2O: A Promising Deep-Ultraviolet Nonlinear-Optical Bisulfate with Large Birefringence and a Second-Harmonic-Generation Effect16Anisotropic structure building unit involving diverse chemical bonds: a new opportunity for high-performance second-order NLO materials181Cs[B 3 O 3 F 2 (OH) 2 ]: discovery of a hydroxyfluorooxoborate guided by selective organic–inorganic transformation13Three new aluminoborates: from 1D tube to 3D framework9Design of the Ionic Organic Nonlinear Optical Material NH 4 [LiC 3 H(CH 3 )O 4 ] with Ultrawide Band Gap and Moderate Birefringence79Design of the Ionic Organic Nonlinear Optical Material NH 4 [LiC 3 H(CH 3 )O 4 ] with Ultrawide Band Gap and Moderate Birefringence9Mg(C 3 O 4 H 2 )(H 2 O) 2 : A New Ultraviolet Nonlinear Optical Material Derived from KBe 2 BO 3 F 2 with High Performance and Excellent Water‐Resistance7Mg(C3O4H2)(H2O)2: A New Ultraviolet Nonlinear Optical Material Derived from KBe2BO3F2 with High Performance and Excellent Water‐Resistance43Li 3 Na 7 B 4 P 6 O 26 : a new ultraviolet transparent congruently melting non-linear optical crystal3Optimized arrangement of non-π-conjugated PO 3 NH 3 units leads to enhanced ultraviolet optical nonlinearity in NaPO 3 NH 328新型深紫外非线性光学晶体研究进展（特邀）9Hierarchical van der Waals Assemblies to Boost Deep‐Ultraviolet Nonlinear‐Optical Capabilities in Boron Phosphate8KPO2(NHCONH2)2: A Promising Deep-Ultraviolet Nonlinear Optical Phosphate Containing Polar [PO2(NHCONH2)2]− Tetrahedra15Theoretical Understanding of Nonlinear Optical Properties in Solids: A Perspective27K3Y3(BO3)4: A Potential UV Nonlinear-Optical Crystal Designed by a Chemical Substitution Strategy14Ae3[TO3][SnOQ3] (Ae = Sr, Ba; T = Si, Ge; Q = S, Se) and Ba3[CO3][MQ4] (M = Ge, Sn; Q = S, Se): Design and Syntheses of a Series of Heteroanionic Antiperovskite-Type Oxychalcogenides29Chemical substitution towards a rare-earth borate ultraviolet NLO crystal exhibiting a strong SHG response17Computer‐Aided Development of New Nonlinear Optical Materials38Computer‐Aided Development of New Nonlinear Optical Materials14Structural modification of hydroxyborates by adjusting the number of shared oxygen atoms and hydroxyl groups for further performance enhancement1A new-type electro-optic crystal: K3Nb3B2O125层状结构深紫外非线性光学晶体研究进展（特邀）2Review of KBe2BO3F2-like second-order nonlinear optical materials and their structure-performance relationships13Exploiting Rigid Inorganic π‐Conjugated Units and Deprotonatable Organic π‐Conjugated Dimers for Enhanced Linear and Nonlinear Optical Properties9(NH4)Na3Zn4(PO4)4:An open-framework zincophosphate exhibiting well-balanced optical and thermal performance1Synergistic Design of UV Nonlinear Optical Crystals: Harnessing Flexible π-Conjugated Anions and Guanidinium Cations for Enhanced Performance4Study of Cleavage Fracture Strength of Cation-Tuned Yttrium Calcium Oxyborate Crystals0Cation regulation achieves symmetry breaking: from centrosymmetric M 2 Cs 2 B 10 O 17 (M = Na, K) to noncentrosymmetric Na 3 CsB 10 O 172High-κ KBe2BO3F2 dielectric material with wide bandgap for two-dimensional electronics3Investigation of the growth, optical and thermal properties, and cleavage fracture strength of Mg2+-doped YCOB crystals0Synthesis and Upconversion Luminescence Mechanisms in Borates LiBa12(BO3)7F4 (LBBF) co-Activated by Tb3+ and Yb3+ Ions0Deep-Ultraviolet Nonlinear-Optical Crystals K1– x A x Be2BO3F2 (A = NH4, OH3) Realized by A-Site Cationic Solid Solution0The Multi‐Scale Paradigm: An Integrated Design Logic for Nonlinear Optical Crystals1The Multi‐Scale Paradigm: An Integrated Design Logic for Nonlinear Optical Crystals0

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  1. ChemInform Abstract: First‐Principles Design of a Deep‐Ultraviolet Nonlinear‐Optical Crystal from KBe2BO3F2 to NH4Be2BO3F2.

    ChemInform · 2015-12-21

    Lei Kang, Siyang Luo, Guang Peng, Ning Ye, Yicheng Wu, Chuangtian Chen, Zheshuai Lin

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  2. A new series of borophosphate phosphor Cd3BPO7:M (M = Ce3+, Tb3+, Mn2+) with tunable luminescence and energy transfer properties

    Journal of Alloys and Compounds · 2016-01-12

    Xiyu Cao, Wei Liu, Shuang Liu, Lixin Cao, Ge Su, Rongjie Gao, Yu Peng Jiang

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  3. NaBa4(GaB4O9)2X3 (X = Cl, Br) with NLO-Active GaO4 Tetrahedral Unit: Experimental and ab Initio Studies

    The Journal of Physical Chemistry C · 2016-02-16

    Ming Wen, Xin Su, Hongping Wu, Juanjuan Lu, Zhihua Yang, Shilie Pan

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  4. Na 2 ZnGe 2 S 6 : A New Infrared Nonlinear Optical Material with Good Balance between Large Second-Harmonic Generation Response and High Laser Damage Threshold

    Journal of the American Chemical Society · 2016-05-19

    Guangmao Li, Kui Wu, Qiong Liu, Zhihua Yang, Shilie Pan

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  5. Be2BO3F: A Phase of Beryllium Fluoride Borate Derived from KBe2BO3F2 with Short UV Absorption Edge

    Inorganic Chemistry · 2016-06-22

    Shu Hai Guo, Lijuan Liu, Mingjun Xia, Lei Kang, Qian Huang, Chao Li, Xiaoyang Wang, Zheshuai Lin, Chuangtian Chen

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  6. BiFSeO 3 : An Excellent SHG Material Designed by Aliovalent Substitution

    Journal of the American Chemical Society · 2016-07-18

    Mingli Liang, Chun‐Li Hu, Fang Kong, Jiang‐Gao Mao

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  7. Positive and negative contribution to birefringence in a family of carbonates: A Born effective charges analysis

    Journal of Solid State Chemistry · 2016-09-09

    Qun Jing, Guang Yang, Juan Hou, Maozhu Sun, Haibin Cao

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  8. Predicting Global Minimum in Complex Beryllium Borate System for Deep-ultraviolet Functional Optical Applications

    Scientific Reports · 2016-10-13

    Qiang Bian, Zhihua Yang, Ying Wang, Chao Cao, Shilie Pan

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  9. SrNO3(OH)·H2O: A new member in strontium nitrate hydrate family with an ultraviolet cut-off edge

    Journal of Alloys and Compounds · 2016-11-03

    Lili Liu, Yun Mo Yang, Linping Li, Zhihua Yang, Shilie Pan

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  10. Analysis and prediction of mid-IR nonlinear optical metal sulfides with diamond-like structures

    Coordination Chemistry Reviews · 2016-11-22

    Fei Liang, Lei Kang, Zheshuai Lin, Yicheng Wu, Chuangtian Chen

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  11. AZn2BO3X2(A = K, Rb, NH4; X = Cl, Br): New Members of KBBF Family Exhibiting Large SHG Response and the Enhancement of Layer Interaction by Modified Structures

    Chemistry of Materials · 2016-12-13

    Guangsai Yang, Pifu Gong, Zheshuai Lin, Ning Ye

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  12. Growth and Optical Properties of LixNa1–xBa12(BO3)7F4 Fluoride Borates with “Antizeolite” Structure

    Inorganic Chemistry · 2017-04-10

    Tatyana B. Bekker, Sergey V. Rashchenko, V. P. Solntsev, Alexander Yèlisseyev, Alexander A. Kragzhda, V. V. Bakakin, Yuriy V. Seryotkin, Alexander E. Kokh, К. А. Кох, Artem B. Kuznetsov

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  13. Finding the Next Deep-Ultraviolet Nonlinear Optical Material: NH4B4O6F

    Journal of the American Chemical Society · 2017-07-20

    Guoqiang Q. Shi, Ying Wang, Fangfang Zhang, Bingbing Zhang, Zhihua Yang, Xueling Hou, Shilie Pan, Kenneth Reinhard Poeppelmeier

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  14. Rational Design of Deep-Ultraviolet Nonlinear Optical Materials in Fluorooxoborates: Toward Optimal Planar Configuration

    Chemistry of Materials · 2017-08-18

    Fei Liang, Lei Kang, Pifu Gong, Zheshuai Lin, Yicheng Wu

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  15. New Compressed Chalcopyrite-like Li2BaMIVQ4 (MIV = Ge, Sn; Q = S, Se): Promising Infrared Nonlinear Optical Materials

    Journal of the American Chemical Society · 2017-09-25

    Kui Wu, Bingbing Zhang, Zhihua Yang, Shilie Pan

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  16. Effect of Li and NH4 doping on the crystal perfection, second harmonic generation efficiency and laser damage threshold of potassium pentaborate crystals

    Optics & Laser Technology · 2017-11-07

    A.N. Vigneshwaran, S. Kalainathan, Chidambaram Ramachandra Raja

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  17. First principle study of nonlinear optical crystals

    Acta Physica Sinica · 2018-01-01

    Fei Liang, Lin Zhe-Shuai, Yicheng Wu

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  18. NH 4 B 11 O 16 (OH) 2 : a new ammonium borate with wavy-shaped polycyclic 2∞[B 11 O 16 (OH) 2 ] layers

    New Journal of Chemistry · 2018-01-01

    Chunmei Huang, Fangfang Zhang, Bingbing Zhang, Zhihua Yang, Shilie Pan

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  19. Pb8M(BO3)6 (M = Mg, Ca): Two new borates with large birefringence activated by the ∞[Pb8B6O18]2- double layers

    Journal of Alloys and Compounds · 2018-02-22

    Chen Zhou, Hui Zhang, Jianian Cheng, Hongyi Li, Sadeh Beysen

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  20. 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 · 2018-04-26

    Qiaoqiao Zhang, Qun Jing, Haiming Duan, Haibin Cao

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

    Angewandte Chemie International Edition · 2018-05-12

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

    Angewandte Chemie · 2018-05-12

    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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  23. Assisting the Effective Design of Polar Iodates with Early Transition-Metal Oxide Fluoride Anions

    Journal of the American Chemical Society · 2018-06-12

    Hongwei Yu, Matthew Lander Nisbet, Kenneth Reinhard Poeppelmeier

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  24. Syntheses, Structures, and Properties of Non-Centrosymmetric Quaternary Tellurates BiMTeO6 (M = Al, Ga)

    Inorganic Chemistry · 2018-06-15

    Fenghua Ding, Matthew Lander Nisbet, Hongwei Yu, Weiguo Zhang, Liyuan Chai, P. Shiv Halasyamani, Kenneth Reinhard Poeppelmeier

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

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  26. Second-order nonlinear optical crystals with mixed anions

    Coordination Chemistry Reviews · 2018-08-06

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  27. Tailoring nonlinear optical crystal borophosphate through the introduction of transition metal d orbitals for improving optical anisotropy and SHG response: a first-principles investigation

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  28. The First Examples of Lithium‐Containing Mixed‐Alkali Strontium Borates with Different Dimensional Anionic Architectures and Short Cutoff Edges

    Chemistry - A European Journal · 2018-08-07

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  29. 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 · 2018-08-15

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  30. Intriguing Structural Transition Inducing Variable Birefringences in ABa2MS4Cl (A = Rb, Cs; M = Ge, Sn)

    Inorganic Chemistry · 2018-08-24

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  31. Why Some Noncentrosymmetric Borates Do Not Make Good Nonlinear Optical Materials: A Case Study with K3B5O8(OH)2

    Inorganic Chemistry · 2018-08-31

    Fenghua Ding, Matthew Lander Nisbet, Weiguo Zhang, P. Shiv Halasyamani, Liyuan Chai, Kenneth Reinhard Poeppelmeier

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  32. A review on structure-performance relationship toward the optimal design of infrared nonlinear optical materials with balanced performances

    Coordination Chemistry Reviews · 2018-09-20

    Kui Wu, Shilie Pan

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  33. Excellent Infrared Nonlinear Optical Crystals BaMO(IO3)5 (M = V, Ta) Predicted by First Principle Calculations

    Materials · 2018-09-24

    Yingfeng Li, Mengqi Cui, Hejin Yan, Yang‐Xin Yu, Meicheng Li, Xiang Li, Lihua Chu, Bing Jiang, Mingde Qin

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

    Inorganic Chemistry · 2018-11-13

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

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  35. Co-crystal LiCl·(H 3 C 3 N 3 O 3 ): a promising solar-blind nonlinear optical crystal with giant nonlinearity from coplanar π-conjugated groups

    Chemical Communications · 2019-01-01

    Fei Liang, Naizheng Wang, Xiaomeng Liu, Zheshuai Lin, Yicheng Wu

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  36. Exploration of the deep-ultraviolet nonlinear optical materials in the derivatives of KBe2BO3F2

    Acta Physica Sinica · 2019-01-01

    Minqiang Gai, Ying Wang, Shilie Pan

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  37. Li 2 ZnGeS 4 : a promising diamond-like infrared nonlinear optical material with high laser damage threshold and outstanding second-harmonic generation response

    Dalton Transactions · 2019-01-01

    Yi Huang, Kui Wu, Jianian Cheng, Yu Chu, Zhihua Yang, Shilie Pan

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  38. Three new phosphates, Cs8Pb4(P2O7)4, CsLi7(P2O7)2 and LiCa(PO3)3: structural comparison, characterization and theoretical calculation

    Dalton Transactions · 2019-01-01

    Shujuan Han, Hao Li, Zhihua Yang, Hao Yu, Shilie Pan

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  39. The first barium lead oxychloride Ba27Pb8O8Cl54 with new isolated [Pb4O4] clusters

    Journal of Molecular Structure · 2019-03-12

    Peng Rong Ren, Yun Mo Yang, Shilie Pan

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  40. Deep-ultraviolet nonlinear optical crystal NaBe2BO3F2—Structure, growth and optical properties

    Journal of Crystal Growth · 2019-04-24

    Shu Hai Guo, Lei Kang, Lijuan Liu, Mingjun Xia, Zheshuai Lin, Qian Huang, Zhanyu Hou, Changcheng Tang, Xiaoyang Wang, Chuangtian Chen

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

    Angewandte Chemie International Edition · 2019-06-03

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

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

    Angewandte Chemie · 2019-06-03

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

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

    Coordination Chemistry Reviews · 2019-09-10

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

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  44. K5B19O31: A Deep‐Ultraviolet Congruent Melting Compound

    ChemistrySelect · 2019-09-17

    Shuzhao Huang, Chen Zhou, Shichao Cheng, Feng Yu

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  45. First-Principles Design and Simulations Promote the Development of Nonlinear Optical Crystals

    Accounts of Chemical Research · 2019-10-29

    Lei Kang, Fei Liang, Xingxing Jiang, Zheshuai Lin, Chuangtian Chen

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  46. Transformation of Optical Anisotropy Origins in Perovskite-Related Materials: A First-Principles Study

    The Journal of Physical Chemistry C · 2019-12-03

    Tinghao Tong, Ming‐Hsien Lee, Jun Zhang

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  47. An unprecedented planar π-conjugated [B 2 P 5 ] 5− group with ultra-large birefringence and nonlinearity: an ab initio study

    Chemical Communications · 2019-12-04

    Pifu Gong, Shengzi Zhang, Gaomin Song, Xiaomeng Liu, Zheshuai Lin

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  48. Emergent Deep‐Ultraviolet Nonlinear Optical Candidates

    Angewandte Chemie International Edition · 2019-12-10

    Miriding Mutailipu, Shilie Pan

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  49. Neue Kandidaten für die nichtlineare Optik im Tief‐UV‐Bereich

    Angewandte Chemie · 2019-12-10

    Miriding Mutailipu, Shilie Pan

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  50. K 2.64 Cs 0.36 SiF 7 : a new fluorosilicate with a trans -perovskite structure

    New Journal of Chemistry · 2020-01-01

    Shuzhao Huang, Le Gao, Feng Yu

    Read original paper ↗ ·
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