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RESEARCH PAPER · Crystal Growth & Design · 2017

Molecular Construction Using (C3N3O3)3– Anions: Analysis and Prospect for Inorganic Metal Cyanurates Nonlinear Optical Materials

Fei Liang, Lei Kang, Xinyuan Zhang, Ming‐Hsien Lee, Zheshuai Lin, Yicheng Wu

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Molecular Construction Using (C3N3O3)3– Anions: Analysis and Prospect for Inorganic Metal Cyanurates Nonlinear Optical MaterialsOriginalTheoretical study on Pb2VO2F5: large birefringence derived from optical anisotropies of VO2F4 groups15An Expedition on Alkali and Alkaline‐Earth Isocyanurate Hydrates: Structure Elucidation, Thermogravimetry, and Spectroscopy31Noncentrosymmetric Cubic Cyanurate K6Cd3(C3N3O3)4 Containing Isolated Planar π-Conjugated (C3N3O3)3– Groups59Concomitance, Reversibility, and Switching Ability of Centrosymmetric and Non-Centrosymmetric Crystal Forms: Polymorphism in an Organic Nonlinear Optical Material26Ba 2 M(C 3 N 3 O 3 ) 2 (M = Mg, Ca): potential UV birefringent materials with strengthened optical anisotropy originating from the (C 3 N 3 O 3 ) 3− group83Design of novel graphdiyne-based materials with large second-order nonlinear optical properties90First principle study of nonlinear optical crystals15PbTeGeO 6 : polar rosiaite-type germanate featuring a two dimensional layered structure24The second-harmonic generation intensification derived from localization conjugated π-orbitals in O 2 2−39Efficient frequency conversion for cubic harmonic generation at 266 nm in centrosymmetric α-BBO crystal17Combination of d 10 -cations and fluorine anion as active participants to design novel borate/carbonate nonlinear optical materials24Rational Design of the First Lead/Tin Fluorooxoborates MB2O3F2 (M = Pb, Sn), Containing Flexible Two-Dimensional [B6O12F6]∞ Single Layers with Widely Divergent Second Harmonic Generation Effects211K2ZnGe3S8: A Congruent-Melting Infrared Nonlinear-Optical Material with a Large Band Gap41Lattice dynamics of Bi3TeBO9 microcrystals: μ-Raman/IR spectroscopic investigation and ab initio analysis11Investigations of electronic and nonlinear optical properties of single alkali metal adsorbed graphene, graphyne and graphdiyne systems by first-principles calculations155Ba3(C3N3O3)2: A New Phase of Barium Cyanurate Containing Parallel π-Conjugated Groups as a Birefringent Material Replacement for Calcite62“Two in one”: an unprecedented mixed anion, Ba 2 (C 3 N 3 O 3 )(CNO), with the coexistence of isolated sp and sp 2 π-conjugated groups15A new ultraviolet transparent hydra-cyanurate K 2 (C 3 N 3 O 3 H) with strong optical anisotropy from delocalized π-bonds56A rich structural chemistry in π-conjugated hydroisocyanurates: layered structures of A 2 B(H 2 C 3 N 3 O 3 ) 4 · n H 2 O (A = K, Rb, Cs; B = Mg, Ca; n = 4, 10) with high ultraviolet transparency and strong optical anisotropy47Centrosymmetric K 2 SO 4 ·(SbF 3 ) 2 and noncentrosymmetric Rb 2 SO 4 ·(SbF 3 ) 2 resulting from cooperative effects of lone pair and cation size63Co-crystal LiCl·(H 3 C 3 N 3 O 3 ): a promising solar-blind nonlinear optical crystal with giant nonlinearity from coplanar π-conjugated groups78Intrinsic zero thermal expansion in cube cyanurate K 6 Cd 3 (C 3 N 3 O 3 ) 423LiO 4 tetrahedra lock the alignment of π-conjugated layers to maximize optical anisotropy in metal hydroisocyanurates44RE(H 2 C 3 N 3 O 3 ) 2 ·(OH)· x H 2 O (RE = La, Y and Gd): potential UV birefringent materials with strong optical anisotropy originating from the (H 2 C 3 N 3 O 3 ) − group31The Sodium (Iso)Cyanurates Nax[H3–xC3N3O3]·yH2O (x = 1–3, y = 0, 1): A Key‐Series for Understanding the Crystal Chemistry of Metal (Iso)Cyanurates30KLi(HC 3 N 3 O 3 )·2H 2 O: Solvent-drop Grinding Method toward the Hydro-isocyanurate Nonlinear Optical Crystal314Two Non-π-Conjugated Deep-UV Nonlinear Optical Sulfates268BaHgGeSe 4 and SrHgGeSe 4 : Two New Hg-Based Infrared Nonlinear Optical Materials142Cs3Na(H2C3N3O3)4·3H2O: A Mixed Alkali‐Metal Hydroisocyanurate Nonlinear Optical Material Containing π‐Conjugated Six‐Membered‐Ring Units68Parallel Alignment of π-Conjugated Anions in Hydroisocyanurates Enhancing Optical Anisotropy25Ba2M(C3N3O3)2 (M = Sr, Pb): Band Engineering from p−π Interaction via Homovalent Substitution in Metal Cyanurates Containing Planar π-Conjugated Groups39Facile Growth of an Ultraviolet Hydroisocyanurate Crystal with Strong Nonlinearity and a Wide Phase-Matching Region from π-Conjugated (HC3N3O3)2– Groups45Nitrate nonlinear optical crystals: A survey on structure-performance relationships146How To Maximize Birefringence and Nonlinearity of π-Conjugated Cyanurates327RbNa(HC 3 N 3 O 3 )·2H 2 O exhibiting a strong second harmonic generation response and large birefringence as a new potential UV nonlinear optical material69An unprecedented planar π-conjugated [B 2 P 5 ] 5− group with ultra-large birefringence and nonlinearity: an ab initio study17“Old dog, new tricks”: the lone pair effect inducing divergent optical responses in lead cyanurates containing π-bonds18Rb3Na(H2C3N3O3)4·3H2O with Large Birefringence28Structural Diversity and Giant Birefringence in Cyanates BaCNOX (X = Cl, Br, I, and CNO) Containing Linear π-Conjugated Units: A Combined Experimental and Theoretical Study132(C 3 H 7 N 6 ) + ·2Cl − ·H 2 O: an ultraviolet nonlinear optical crystal with large birefrigence and strong second-harmonic generation78Gd(NO 3 )(Se 2 O 5 )·3H 2 O: a nitrate–selenite nonlinear optical material with a short ultraviolet cutoff edge28Hydroisocyanurates X 2 Y(H 2 C 3 N 3 O 3 ) 4 ·4H 2 O (X = K, Cs; Y = Zn, Cd) with large birefringence stemming from π-conjugated (H 2 C 3 N 3 O 3 ) − anions28Inorganic planar π-conjugated groups in nonlinear optical crystals: review and outlook145K 4 Cu 3 (C 3 N 3 O 3 ) 2 X (X = Cl, Br): strong anisotropic layered semiconductors containing mixed p–p and d–p conjugated π-bonds7Optimal arrangement of π-conjugated anionic groups in hydro-isocyanurates leads to large optical anisotropy and second-harmonic generation effect42Second-order nonlinear optical materials with a benzene-like conjugated π system49Lead Mixed Oxyhalides Satisfying All Fundamental Requirements for High‐Performance Mid‐Infrared Nonlinear Optical Materials164Lead Mixed Oxyhalides Satisfying All Fundamental Requirements for High‐Performance Mid‐Infrared Nonlinear Optical Materials55Deep-ultraviolet nonlinear optical crystals by design: A computer-aided modeling blueprint from first principles45A(H3C3N3O3)(NO3) (A = K, Rb): Alkali-Metal Nitrate Isocyanurates with Strong Optical Anisotropy47An Optimal Arrangement of (H2C4N2O3)2– Groups in the First Non-Centrosymmetric Alkali Barbiturate Li2(H2C4N2O3)·2H2O Inducing a Giant Second Harmonic Generation Response and a Striking Birefringence43A UV birefringent crystal: RbNH4(H2C3N3O3)2·2H2O14Series of Crystals with Giant Optical Anisotropy: A Targeted Strategic Research19Series of Crystals with Giant Optical Anisotropy: A Targeted Strategic Research140Mechanochemical Synthesis of an Ionic Cocrystal with Large Birefringence Resulting from Neutral Planar π-Conjugated Groups26Co-crystal AX·(H 3 C 3 N 3 O 3 ) (A = Na, Rb, Cs; X = Br, I): a series of strongly anisotropic alkali halide cyanurates with a planar structural motif and large birefringence13K 2 Pb(H 2 C 3 N 3 O 3 ) 4 (H 2 O) 4 : a potential UV nonlinear optical material with large birefringence50Two metal-free cyanurate crystals with a large optical birefringence resulting from the combination of π-conjugated units17Zn(H 2 C 3 N 3 O 3 ) 2 ·3H 2 O: the first single- d 10 transition metal based ultraviolet hydroisocyanurate crystal with large birefringence18The First Positive Uniaxial Cyanurate Crystals Containing a Crown-like Anionic Group Arrangement and Strengthened Optical Anisotropy17Discovery of NLO Semiorganic (C 5 H 6 ON) + (H 2 PO 4 ) − : Dipole Moment Modulation and Superior Synergy in Solar-Blind UV Region270Cyanurates consisting of intrinsic planar π-conjugated 6-membered rings: An emerging source of optical functional materials111Te(CS(NH2)2)4SO4·2H2O: A Three-in-One Semiorganic Nonlinear Optical Crystal with an Unusual Quadrilateral (TeS4)6– Chromophore14Fluorine‐Driven Enhancement of Birefringence in the Fluorooxosulfate: A Deep Evaluation from a Joint Experimental and Computational Study139AZn4(OH)4(C3N3O3)2 (A = Mg, Zn): Two Zn-Based Cyanurate Crystals with Various Cation Coordination and Large Birefringence22The application and development of the first principles calculation in nonlinear optical materials1Design a novel type of excess electron compounds with large nonlinear optical responses using group 12 elements (Zn, Cd and Hg)7An Overview on Recent Trends in Deep‐Ultraviolet (DUV) and Ultraviolet (UV) Nonlinear Optical Crystals25Enhancement of band gap and birefringence induced via π -conjugated chromophore with “tail effect”28Synthesis and Characterization of New-Type Ionic Cocrystals with Cyanuric Acid and Alkali Halides: AX·(H3C3N3O3)2 (A = Rb, Cs; X = Cl, Br)6Hierarchical Modulation of Optical Anisotropy Driven by Metal Cation Polyhedra in Fluorooxoborates MIIB4O6F2 (MII=Be, Mg, Pb, Zn, Cd)6[C 3 N 6 H 7 ] 2 [B 3 O 3 F 4 (OH)]: a new hybrid birefringent crystal with strong optical anisotropy induced by mixed functional units85Linear unit BN 2 : a novel birefringence-enhanced fundamental module with sp orbital hybridization9LiSrSbS 3 : parallel configurations of lone pair electrons inducing a large birefringence16Performance of optical materials with the derivative of planar π-conjugated groups: Recent advances and future prospects37From Pb(H 2 C 3 N 3 O 3 )(OH) to Pb(H 2 C 3 N 3 O 3 )F: Homovalent Anion Substitution-Induced Band Gap Enlargement and Birefringence Enhancement26Driving Nonlinear Optical Activity with Dipolar 2-Aminopyrimidinium Cations in (C4H6N3)+(H2PO3)−115Revealing Electron–Phonon Coupling Dependence on the π-Conjugated Groups in Rare-Earth Borates6Finding the First Squarates Nonlinear Optical Crystal NaHC4O4·H2O with Strong Second Harmonic Generation and Giant Birefringence56Maximizing the linear and nonlinear optical responses of alkaline tricyanomelaminate28Crystal Growth and Physical Properties of the Nonlinear Optical Crystal KLi(HC3N3O3)·2H2O15Cooperative Enhancement of Second Harmonic Generation in an Organic–Inorganic Hybrid Antimony Halide63Investigation on the optical characteristic of calcite crystal and α-BBO crystal in direct third-harmonic generation process3Noncentrosymmetric (C3H7N6)6(H2PO4)4(HPO4)·4H2O and Centrosymmetric (C3H7N6)2SO4·2H2O: Exploration of Acentric Structure by Combining Planar and Tetrahedral Motifs via Hydrogen Bonds37A DFT study of nonlinear optical response of supersalt (Al(BH4)3) doped boron nitride13An Optically Anisotropic Crystal with Large Birefringence Arising from Cooperative π Orbitals81An Optically Anisotropic Crystal with Large Birefringence Arising from Cooperative π Orbitals22Crystal Growth of K2HCO3F·H2O with a Very Short Cutoff Edge and Large Birefringence17Perfectly Encoding π‐Conjugated Anions in the RE5(C3N3O3)(OH)12 (RE=Y, Yb, Lu) Family with Strong Second Harmonic Generation Response and Balanced Birefringence91Perfectly Encoding π‐Conjugated Anions in the RE5(C3N3O3)(OH)12 (RE=Y, Yb, Lu) Family with Strong Second Harmonic Generation Response and Balanced Birefringence18K 3 C 6 N 7 O 3 ·2H 2 O: A Multifunctional Nonlinear Optical Cyamelurate Crystal with Colossal π-Conjugated Orbitals44Homochiral Metallohelicates Based on Zinc(II) and Cadmium(II) Clusters with Excellent Thermostability and Remarkable Second-Harmonic Generation12A 0.5 H 2 C 6 N 7 O 3 ·4H 2 O (A = Ca 2+ , Sr 2+ ) iso-cyamelurates with ultra-large π-conjugated group and excellent nonlinear optical properties10Compounds consisting of coplanar π-conjugated B3O6-typed structures: An emerging source of ultraviolet nonlinear optical materials20Ultrastable 3D cage-like metal–organic frameworks constructed using polydentate cyanurate ligands and their gas adsorption properties6Two Carboxylate-Cyanurates with Strong Optical Anisotropy and Large Band Gaps6α-BBO-like π-Conjugated Crystal with Large Birefringence16Unveiling the Superior Optical Properties of Novel Melamine‐Based Nonlinear Optical Material with Strong Second‐Harmonic Generation and Giant Optical Anisotropy74Molar ratio induced crystal transformation from coordination complex to coordination polymers4A BBO-like trithiocyanate with significantly enhanced birefringence and second-harmonic generation39A Hydrogen Bonded Supramolecular Framework Birefringent Crystal89A Hydrogen Bonded Supramolecular Framework Birefringent Crystal13Recent progress of newly developed functional building units and corresponding nonlinear optical materials14Design 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 Birefringence9α- and β-(C4H5N2O)(IO3)·HIO3: Two SHG Materials Based on Organic–Inorganic Hybrid Iodates14Enlargement of Bandgap and Birefringence in Nonlinear Optical Alkali‐Metal Sulfate Crystals by the Substitution of Asymmetrical Non‐π‐Conjugated Cation8New Functional Groups Design toward High Performance Ultraviolet Nonlinear Optical Materials95Vanadate Crystals with an Enhanced Birefringence and a Broadened Transparency Spectrum through Controlled [VO3]∞ Chain Arrangements and Alkali Metal Cation Introduction4Mg(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‐Resistance43A highly birefringent metal-free crystal assembled by cooperative non-covalent interactions30C 8 H 6 IN 3 O 4 : a birefringent crystal induced by uniformly aligned hybrid groups10Recent advances in rational structure design for nonlinear optical crystals: leveraging advantageous templates153Toltrazuril Polymorphs and the Effect on Hygroscopicity and Dissolution Rate12From Cd(SCN) 2 (CH 4 N 2 S) 2 to Cd(SCN) 2 (C 4 H 6 N 2 ) 2 : Controlling Sulfur Content in Thiocyanate Systems Significantly Improves the Overall Performance of UV Nonlinear Optical Materials9From Cd(SCN) 2 (CH 4 N 2 S) 2 to Cd(SCN) 2 (C 4 H 6 N 2 ) 2 : Controlling Sulfur Content in Thiocyanate Systems Significantly Improves the Overall Performance of UV Nonlinear Optical Materials50Halogen Bond Unlocks Ultra‐High Birefringence73Halogen Bond Unlocks Ultra‐High Birefringence14Noncentrosymmetric Crystal [C10H8NO2]2SiF6·H2O with Large Birefringence12Sulfate Derivatives with Heteroleptic Tetrahedra: New Deep‐Ultraviolet Birefringent Materials in which Weak Interactions Modulate Functional Module Ordering61Sulfate Derivatives with Heteroleptic Tetrahedra: New Deep‐Ultraviolet Birefringent Materials in which Weak Interactions Modulate Functional Module Ordering4C6N7(NH2)3·H3PO4: Strong Second Harmonic Generation and Giant Birefringence Benefiting from Amino Substitution Strategy24Investigations of structure, thermal stability and optical properties of a new NLO crystal (C3H5N2)+(CF3COO)-0[C8H6BrN2O]Cl and [C8H6IN2O]Cl: Two birefringent crystals with π-conjugated quinazoline groups2Constructing Ultraviolet Nonlinear Optical Crystals with Superior Thermal Stability Based on Organic π-Conjugated [HCOO] Groups6Nonlinear optical cyanurate crystals15Unveiling Noncentrosymmetric Pyridine Carboxylates from Centrosymmetric Templates through Motif Configuration Modulation in Zero-Dimensional System7Chiral-driven formation of hybrid cyanurates with large birefringence2Emergent Mid‐Infrared Nonlinear Optical Candidates With Targeted Balance Performances17“Three functions in one”: multifunctional rare-earth cyamelurates with magnetism, luminescence, and giant optical nonlinearity6Optimizing optical anisotropy in low-dimensional structures via intralayer hydrogen bonding modulation and anionic substitution17Synergistic engineering of ultraviolet metal-free crystals with exceptional birefringence via pyridine-derived dimers14Synthesis and SHG properties of the melamine-based material (C 3 N 6 H 7 )ZnX 3 (C 3 N 6 H 6 ) (X = Cl, Br)0Sr2Zn(C3N3O3)2: An Alkaline Earth and d10 Transition Metal Based Ultraviolet Cyanurate with Large Birefringence6An alkali and rare earth metal mixed cyanurate KLa2(C3N3O3)2Cl with large birefringence: Synthesis and characterization2[C 2 N 4 H 7 O][NH 2 SO 3 ]: High‐Performance Ultraviolet Nonlinear Optical Crystal with Ditrigon Coupled Guanylurea Group9[C 2 N 4 H 7 O][NH 2 SO 3 ]: High‐Performance Ultraviolet Nonlinear Optical Crystal with Ditrigon Coupled Guanylurea Group48Engineering an Excellent β ‐BaB 2 O 4 ‐Inspired UV Nonlinear Optical Material Through Secondary Building Unit Substitution21Engineering an Excellent β ‐BaB 2 O 4 ‐Inspired UV Nonlinear Optical Material Through Secondary Building Unit Substitution6Rational design of a high-efficiency lead halide organic-inorganic hybrid nonlinear optical switch via molecular engineering5Review of KBe2BO3F2-like second-order nonlinear optical materials and their structure-performance relationships13Giant Birefringence and Solar‐Blind Ultraviolet Transmission by Coordination‐Induced Assembly of π‐Conjugated Pyridine–Carboxylate8Giant Birefringence and Solar‐Blind Ultraviolet Transmission by Coordination‐Induced Assembly of π‐Conjugated Pyridine–Carboxylate24A one-pot method in water to synthesize a new cyanurate K(H 2 C 3 N 3 O 3 )·H 2 O with large birefringence2Single‐Source Cyanurate Precursor for Making Manganese Carbodiimide and the Second Harmonic Generation Effect of the Intermediate Manganese Monohydrocyanurate Mn(HC 3 N 3 O 3 )0Novel [BO 2 ] superhalogen module-enabled deep-ultraviolet nonlinear optical material: rational design for tailored birefringence and phase matching0Achieving an optimal performance balance in UV nonlinear optical crystals via hydrogen-bond regulation1The condensation of π-conjugated units: a new paradigm for designing high-performance optical crystals4Confinement-assembled ultraviolet nonlinear optical crystal from pyridine-expanded π-systems with exhibiting strong SHG and birefringence18

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  1. Theoretical study on Pb2VO2F5: large birefringence derived from optical anisotropies of VO2F4 groups

    Journal of Materials Science · 2017-11-13

    Zhaohui Chen, Zhizhong Zhang, Ronglan Wu, Xiaoyu Dong, Yunjing Shi, Qun Jing

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  2. An Expedition on Alkali and Alkaline‐Earth Isocyanurate Hydrates: Structure Elucidation, Thermogravimetry, and Spectroscopy

    Zeitschrift für anorganische und allgemeine Chemie · 2017-11-14

    Peter Groß, Henning A. Höppe

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  3. Noncentrosymmetric Cubic Cyanurate K6Cd3(C3N3O3)4 Containing Isolated Planar π-Conjugated (C3N3O3)3– Groups

    Inorganic Chemistry · 2017-12-13

    Mingjun Xia, Molin Zhou, Fei Liang, Xianghe Meng, Jiyong Yao, Zheshuai Lin, Rukang K. Li

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  4. Concomitance, Reversibility, and Switching Ability of Centrosymmetric and Non-Centrosymmetric Crystal Forms: Polymorphism in an Organic Nonlinear Optical Material

    Crystal Growth & Design · 2017-12-20

    Kunal Kumar Jha, Sanjay Dutta, Parthapratim Munshi

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  5. Ba 2 M(C 3 N 3 O 3 ) 2 (M = Mg, Ca): potential UV birefringent materials with strengthened optical anisotropy originating from the (C 3 N 3 O 3 ) 3− group

    Journal of Materials Chemistry C · 2018-01-01

    Zhuang Li, Fei Liang, Yangwu Guo, Zheshuai Lin, Jiyong Yao, Guochun Zhang, Wenlong Yin, Yicheng Wu, Chuangtian Chen

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  6. Design of novel graphdiyne-based materials with large second-order nonlinear optical properties

    Journal of Materials Chemistry C · 2018-01-01

    Xiaojun Li

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  7. First principle study of nonlinear optical crystals

    Acta Physica Sinica · 2018-01-01

    Fei Liang, Lin Zhe-Shuai, Yicheng Wu

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  8. PbTeGeO 6 : polar rosiaite-type germanate featuring a two dimensional layered structure

    Dalton Transactions · 2018-01-01

    Zhen Jia, Xingxing Jiang, Zheshuai Lin, Mingjun Xia

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  9. The second-harmonic generation intensification derived from localization conjugated π-orbitals in O 2 2−

    Chemical Communications · 2018-01-01

    Yunxia Song, Min Luo, Fei Liang, Ning Ye, Zheshuai Lin

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  10. Efficient frequency conversion for cubic harmonic generation at 266 nm in centrosymmetric α-BBO crystal

    Optics Letters · 2018-04-06

    Mengjing Shi, Ge Zhang, Bingxuan Li, Renfu Li, Tao Yan, Min Luo, Ning Ye

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  11. Combination of d 10 -cations and fluorine anion as active participants to design novel borate/carbonate nonlinear optical materials

    Journal of Alloys and Compounds · 2018-05-18

    Beenish Bashir, Bingbing Zhang, Shilie Pan, Zhihua Yang

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  12. Rational Design of the First Lead/Tin Fluorooxoborates MB2O3F2 (M = Pb, Sn), Containing Flexible Two-Dimensional [B6O12F6]∞ Single Layers with Widely Divergent Second Harmonic Generation Effects

    Journal of the American Chemical Society · 2018-05-21

    Min Luo, Fei Liang, Yunxia Song, Dan Zhao, Ning Ye, Zheshuai Lin

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  13. K2ZnGe3S8: A Congruent-Melting Infrared Nonlinear-Optical Material with a Large Band Gap

    Inorganic Chemistry · 2018-07-13

    Xiaoyu Luo, Fei Liang, Molin Zhou, Yangwu Guo, Zhuang Li, Zheshuai Lin, Jiyong Yao, Yicheng Wu

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  14. Lattice dynamics of Bi3TeBO9 microcrystals: μ-Raman/IR spectroscopic investigation and ab initio analysis

    Journal of Alloys and Compounds · 2018-12-11

    Dobrosława Kasprowicz, Taras Zhezhera, Andrzej Łapiński, M. Chrunik, A. Majchrowski, Andriy V. Kityk, Yaroslav Shchur

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  15. Investigations of electronic and nonlinear optical properties of single alkali metal adsorbed graphene, graphyne and graphdiyne systems by first-principles calculations

    Journal of Materials Chemistry C · 2018-12-24

    Xiaojun Li, Shikun Li

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  16. Ba3(C3N3O3)2: A New Phase of Barium Cyanurate Containing Parallel π-Conjugated Groups as a Birefringent Material Replacement for Calcite

    Crystal Growth & Design · 2018-12-28

    Jian Tang, Fei Liang, Xianghe Meng, Kaijin Kang, Wenlong Yin, Tixian Zeng, Mingjun Xia, Zheshuai Lin, Jiyong Yao, Guochun Zhang, Bin Kang

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  17. “Two in one”: an unprecedented mixed anion, Ba 2 (C 3 N 3 O 3 )(CNO), with the coexistence of isolated sp and sp 2 π-conjugated groups

    Dalton Transactions · 2019-01-01

    Jian Tang, Fei Liang, Xianghe Meng, Kaijin Kang, Tixian Zeng, Wenlong Yin, Mingjun Xia, Zheshuai Lin, Bin Kang

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  18. A new ultraviolet transparent hydra-cyanurate K 2 (C 3 N 3 O 3 H) with strong optical anisotropy from delocalized π-bonds

    Dalton Transactions · 2019-01-01

    Naizheng Wang, Fei Liang, Yi Jin Yang, Shengzi Zhang, Zheshuai Lin

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  19. A rich structural chemistry in π-conjugated hydroisocyanurates: layered structures of A 2 B(H 2 C 3 N 3 O 3 ) 4 · n H 2 O (A = K, Rb, Cs; B = Mg, Ca; n = 4, 10) with high ultraviolet transparency and strong optical anisotropy

    Dalton Transactions · 2019-01-01

    Xianghe Meng, Fei Liang, Kaijin Kang, Jian Tang, Qian Huang, Wenlong Yin, Zheshuai Lin, Mingjun Xia

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  20. Centrosymmetric K 2 SO 4 ·(SbF 3 ) 2 and noncentrosymmetric Rb 2 SO 4 ·(SbF 3 ) 2 resulting from cooperative effects of lone pair and cation size

    Inorganic Chemistry Frontiers · 2019-01-01

    Qian Wang, Lei Wang, Xiaoyu Zhao, Ling Huang, Daojiang Gao, Jian Bi, Xin Wang, Guohong Zou

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  21. 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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  22. Intrinsic zero thermal expansion in cube cyanurate K 6 Cd 3 (C 3 N 3 O 3 ) 4

    Inorganic Chemistry Frontiers · 2019-01-01

    Mingjun Xia, Fei Liang, Xianghe Meng, Yonggang Wang, Zheshuai Lin

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  23. LiO 4 tetrahedra lock the alignment of π-conjugated layers to maximize optical anisotropy in metal hydroisocyanurates

    Inorganic Chemistry Frontiers · 2019-01-01

    Xianghe Meng, Fei Liang, Jian Tang, Kaijin Kang, Wenlong Yin, Tixian Zeng, Bin Kang, Zheshuai Lin, Mingjun Xia

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  24. RE(H 2 C 3 N 3 O 3 ) 2 ·(OH)· x H 2 O (RE = La, Y and Gd): potential UV birefringent materials with strong optical anisotropy originating from the (H 2 C 3 N 3 O 3 ) − group

    Dalton Transactions · 2019-01-01

    Xia Hao, Min Luo, Chensheng Lin, Donghong Lin, Liling Cao, Ning Ye

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  25. The Sodium (Iso)Cyanurates Nax[H3–xC3N3O3]·yH2O (x = 1–3, y = 0, 1): A Key‐Series for Understanding the Crystal Chemistry of Metal (Iso)Cyanurates

    Zeitschrift für anorganische und allgemeine Chemie · 2019-01-25

    Peter Groß, Henning A. Höppe

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  26. KLi(HC 3 N 3 O 3 )·2H 2 O: Solvent-drop Grinding Method toward the Hydro-isocyanurate Nonlinear Optical Crystal

    Journal of the American Chemical Society · 2019-02-12

    Donghong Lin, Min Luo, Chensheng Lin, Feng Xu, Ning Ye

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  27. Two Non-π-Conjugated Deep-UV Nonlinear Optical Sulfates

    Journal of the American Chemical Society · 2019-02-21

    Yanqiang Li, Fei Liang, Sangen Zhao, Lina Li, Zhenyue Wu, Qingran Ding, Shuai Liu, Zheshuai Lin, Maochun Hong, Junhua Luo

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  28. BaHgGeSe 4 and SrHgGeSe 4 : Two New Hg-Based Infrared Nonlinear Optical Materials

    Chemistry of Materials · 2019-04-01

    Yangwu Guo, Fei Liang, Wenlong Yin, Zhuang Li, Xiaoyu Luo, Zheshuai Lin, Jiyong Yao, A. Mar, Yicheng Wu

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  29. Cs3Na(H2C3N3O3)4·3H2O: A Mixed Alkali‐Metal Hydroisocyanurate Nonlinear Optical Material Containing π‐Conjugated Six‐Membered‐Ring Units

    European Journal of Inorganic Chemistry · 2019-04-08

    Xianghe Meng, Fei Liang, Jian Tang, Kaijin Kang, Qian Huang, Wenlong Yin, Zheshuai Lin, Mingjun Xia

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  30. Parallel Alignment of π-Conjugated Anions in Hydroisocyanurates Enhancing Optical Anisotropy

    Inorganic Chemistry · 2019-06-21

    Xianghe Meng, Fei Liang, Jian Tang, Kaijin Kang, Tixian Zeng, Wenlong Yin, Ruixin Guo, Zheshuai Lin, Mingjun Xia

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  31. Ba2M(C3N3O3)2 (M = Sr, Pb): Band Engineering from p−π Interaction via Homovalent Substitution in Metal Cyanurates Containing Planar π-Conjugated Groups

    Inorganic Chemistry · 2019-07-15

    Kaijin Kang, Fei Liang, Xianghe Meng, Jian Tang, Tixian Zeng, Wenlong Yin, Mingjun Xia, Zheshuai Lin, Bin Kang

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  32. Facile Growth of an Ultraviolet Hydroisocyanurate Crystal with Strong Nonlinearity and a Wide Phase-Matching Region from π-Conjugated (HC3N3O3)2– Groups

    Inorganic Chemistry · 2019-08-15

    Xianghe Meng, Fei Liang, Kaijin Kang, Jian Tang, Tixian Zeng, Zheshuai Lin, Mingjun Xia

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  33. 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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  34. How To Maximize Birefringence and Nonlinearity of π-Conjugated Cyanurates

    Journal of the American Chemical Society · 2019-09-12

    Jing Lu, Yu‐Kun Lian, Lin Xiong, Qianru Wu, Min Zhao, Ke-Xin Shi, Ling Chen, Li‐Ming Wu

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  35. RbNa(HC 3 N 3 O 3 )·2H 2 O exhibiting a strong second harmonic generation response and large birefringence as a new potential UV nonlinear optical material

    Inorganic Chemistry Frontiers · 2019-10-14

    Yunxia Song, Donghong Lin, Min Luo, Chensheng Lin, Qiaoling Chen, Ning Ye

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  36. 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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  37. “Old dog, new tricks”: the lone pair effect inducing divergent optical responses in lead cyanurates containing π-bonds

    Dalton Transactions · 2019-12-11

    Xianghe Meng, Kaijin Kang, Fei Liang, Jian Tang, Zheshuai Lin, Wenlong Yin, Mingjun Xia

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  38. Rb3Na(H2C3N3O3)4·3H2O with Large Birefringence

    ACS Omega · 2019-12-13

    Mukeremu Aibibula, Li Wang, Shuzhao Huang

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  39. Structural Diversity and Giant Birefringence in Cyanates BaCNOX (X = Cl, Br, I, and CNO) Containing Linear π-Conjugated Units: A Combined Experimental and Theoretical Study

    Crystal Growth & Design · 2019-12-27

    Jian Tang, Xianghe Meng, Fei Liang, Kaijin Kang, Tixian Zeng, Mingjun Xia, Wenlong Yin, Zheshuai Lin, Bin Kang

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  40. 2(C 3 H 7 N 6 ) + ·2Cl − ·H 2 O: an ultraviolet nonlinear optical crystal with large birefrigence and strong second-harmonic generation

    Chemical Communications · 2020-01-01

    Lehui Liu, Chun‐Li Hu, Zhiyong Bai, Feifei Yuan, Yisheng Huang, Lizhen Zhang, Zhoubin Lin

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  41. Gd(NO 3 )(Se 2 O 5 )·3H 2 O: a nitrate–selenite nonlinear optical material with a short ultraviolet cutoff edge

    Dalton Transactions · 2020-01-01

    Chao Wu, Longhua Li, Lin Lin, Zhipeng Huang, Mark Graeme Humphrey, Chi Zhang

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  42. Hydroisocyanurates X 2 Y(H 2 C 3 N 3 O 3 ) 4 ·4H 2 O (X = K, Cs; Y = Zn, Cd) with large birefringence stemming from π-conjugated (H 2 C 3 N 3 O 3 ) − anions

    CrystEngComm · 2020-01-01

    Kaijin Kang, Xianghe Meng, Fei Liang, Jian Tang, Tixian Zeng, Wenlong Yin, Zheshuai Lin, Mingjun Xia

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  43. Inorganic planar π-conjugated groups in nonlinear optical crystals: review and outlook

    Inorganic Chemistry Frontiers · 2020-01-01

    Pifu Gong, Xiaomeng Liu, Lei Kang, Zheshuai Lin

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  44. K 4 Cu 3 (C 3 N 3 O 3 ) 2 X (X = Cl, Br): strong anisotropic layered semiconductors containing mixed p–p and d–p conjugated π-bonds

    Chemical Communications · 2020-01-01

    Kaijin Kang, Fei Liang, Xianghe Meng, Jian Tang, Tixian Zeng, Mingjun Xia, Zheshuai Lin, Wenlong Yin, Bin Kang

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  45. Optimal arrangement of π-conjugated anionic groups in hydro-isocyanurates leads to large optical anisotropy and second-harmonic generation effect

    Inorganic Chemistry Frontiers · 2020-01-01

    Xianghe Meng, Kaijin Kang, Fei Liang, Jian Tang, Wenlong Yin, Zheshuai Lin, Mingjun Xia

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  46. Second-order nonlinear optical materials with a benzene-like conjugated π system

    Chemical Communications · 2020-01-01

    Hongkun Liu, Bingbing Zhang, Ying Wang

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  47. Lead Mixed Oxyhalides Satisfying All Fundamental Requirements for High‐Performance Mid‐Infrared Nonlinear Optical Materials

    Angewandte Chemie International Edition · 2020-03-11

    Xinglong Chen, Hongil Jo, Kang Min Ok

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  48. Lead Mixed Oxyhalides Satisfying All Fundamental Requirements for High‐Performance Mid‐Infrared Nonlinear Optical Materials

    Angewandte Chemie · 2020-03-11

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  49. Deep-ultraviolet nonlinear optical crystals by design: A computer-aided modeling blueprint from first principles

    Science China Materials · 2020-06-04

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

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  50. A(H3C3N3O3)(NO3) (A = K, Rb): Alkali-Metal Nitrate Isocyanurates with Strong Optical Anisotropy

    Inorganic Chemistry · 2020-06-28

    Xia Hao, Min Luo, Chensheng Lin, Guang Peng, Tao Yan, Donghong Lin, Liling Cao, Xifa Long, Guangsai Yang, Ning Ye

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