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RESEARCH PAPER · Journal of the American Chemical Society · 2018

M2B10O14F6 (M = Ca, Sr): Two Noncentrosymmetric Alkaline Earth Fluorooxoborates as Promising Next-Generation Deep-Ultraviolet Nonlinear Optical Materials

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

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M2B10O14F6 (M = Ca, Sr): Two Noncentrosymmetric Alkaline Earth Fluorooxoborates as Promising Next-Generation Deep-Ultraviolet Nonlinear Optical MaterialsOriginalCation-tuned synthesis of the A 2 SO 4 ·SbF 3 (A = Na + , NH 4 + , K + , Rb + ) family with nonlinear optical properties78Cs 3 VO(O 2 ) 2 CO 3 : an exceptionally thermostable carbonatoperoxovanadate with an extremely large second-harmonic generation response129First principle study of nonlinear optical crystals15K 11 RbB 28 O 48 : a new triple-layered borate with an unprecedented [B 28 O 57 ] fundamental building block19Li 8 NaRb 3 (SO 4 ) 6 ·2H 2 O as a new sulfate deep-ultraviolet nonlinear optical material93Perfect balance harmony in Ba 2 NO 3 (OH) 3 : a beryllium-free nitrate as a UV nonlinear optical material184Deep-ultraviolet nonlinear optical materials: Development trend and innovative exploration16CaB5O7F3: A Beryllium-Free Alkaline-Earth Fluorooxoborate Exhibiting Excellent Nonlinear Optical Performances192Beryllium-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 Layers27Combination of d 10 -cations and fluorine anion as active participants to design novel borate/carbonate nonlinear optical materials24Exploring Potential Beryllium-free, Deep-Ultraviolet Optical Crystals in the Rare Earth Fluoride Carbonate–Water System34Rational Design of the First Lead/Tin Fluorooxoborates MB2O3F2 (M = Pb, Sn), Containing Flexible Two-Dimensional [B6O12F6]∞ Single Layers with Widely Divergent Second Harmonic Generation Effects211From LiB3O5 to NaRbB6O9F2: Fluorine‐Directed Evolution of Structural Chemistry33A Fluorooxosilicophosphate with an Unprecedented SiO2F4 Species56A Fluorooxosilicophosphate with an Unprecedented SiO2F4 Species5Non-centrosymmetric BaNaP3O9 with a short deep-ultraviolet cutoff edge14Assisting the Effective Design of Polar Iodates with Early Transition-Metal Oxide Fluoride Anions206Designing Deep‐UV Birefringent Crystals by Cation Regulation57Sn[B2O3F2]—The First Tin Fluorooxoborate as Possible NLO Material102Hydrogen Bonding Assisted Construction of Graphite-like Deep-UV Optical Materials with Two Types of Parallel π-Conjugated Units22Expanding Frontiers of Ultraviolet Nonlinear Optical Materials with Fluorophosphates265Fluorooxoborates: Ushering in a New Era of Deep Ultraviolet Nonlinear Optical Materials102Removal of A-Site Alkali and Alkaline Earth Metal Cations in KBe2BO3F2-Type Layered Structures To Enhance the Deep-Ultraviolet Nonlinear Optical Capability46Why Some Noncentrosymmetric Borates Do Not Make Good Nonlinear Optical Materials: A Case Study with K3B5O8(OH)222Synthesis, crystal structures and nonlinear optical properties of polymorphism: α- and β-RbHgI3·H2O18Centrosymmetric (NH4)2SbCl(SO4)2 and Non-centrosymmetric (NH4)SbCl2(SO4): Synergistic Effect of Hydrogen-Bonding Interactions and Lone-Pair Cations on the Framework Structures and Macroscopic Centricities89Rational Design of a LiNbO3-like Nonlinear Optical Crystal, Li2ZrTeO6, with High Laser-Damage Threshold and Wide Mid-IR Transparency Window152Synthesis, Structure, and Properties of the Non-Centrosymmeteric Compound LiNaRbB5O8(OH)23Na4Yb(CO3)3F: A New UV Nonlinear Optical Material with a Large Second Harmonic Generation Response8Ba2NaClP2O7: Unprecedented Phase Matchability Induced by Symmetry Breaking and Its Unique Fresnoite-Type Structure245Na 3 B 7 O 11 F 2 : a new sodium-rich fluorooxoborate with a unique [B 14 O 24 F 4 ] ring and a short ultraviolet absorption edge27Monofluorophosphates: A New Source of Deep-Ultraviolet Nonlinear Optical Materials257The linear and nonlinear optical response of CsGeX3 (X=Cl, Br, and I): The finite field and first-principles investigation26Cyano-Based Materials with Giant Optical Anisotropy and Second Harmonic-Generation Effect24Pb 2 GaF 2 (SeO 3 ) 2 Cl: Band Engineering Strategy by Aliovalent Substitution for Enlarging Bandgap while Keeping Strong Second Harmonic Generation Response178Prediction of MCO [M = S, (Cl2B)3B] Systems with Giant Optical Birefringence and Nonlinearity in the Deep-Ultraviolet Region9Ba3(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 anisotropy47An energy band engineering design to enlarge the band gap of KTiOPO 4 (KTP)-type sulfates via aliovalent substitution66Ba 3 Ca 4 (BO 3 ) 3 (SiO 4 )Cl: a new non-centrosymmetric complex alkaline-earth metal borosilicate chloride with a deep-ultraviolet cut-off edge19Centrosymmetric 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 size63Chloride carbodiimide K 12 Pb 51 (CN 2 ) 30 Cl 54 with an unprecedented 45 Å unit cell axis and a large birefringence7Exploration of the deep-ultraviolet nonlinear optical materials in the derivatives of KBe2BO3F27Fluoroborophosphates: a family of potential deep ultraviolet NLO materials43K 2 SrP 4 O 12 : a deep-UV transparent cyclophosphate as a nonlinear optical crystal79LiGeBO 4 : a nonlinear optical material with a balance between deep-ultraviolet cut-off edge and large SHG response induced by hand-in-hand tetrahedra21LiO 4 tetrahedra lock the alignment of π-conjugated layers to maximize optical anisotropy in metal hydroisocyanurates44M 2 (SeO 3 )F 2 (M = Zn, Cd): understanding the structure directing effect of [SeO 3 ] 2− groups on constructing ordered oxyfluorides14Pb 10 O 4 (BO 3 ) 3 I 3 : a new noncentrosymmetric oxyborate iodide synthesized by the straightforward hydrothermal method6Rb 3 SbF 3 (NO 3 ) 3 : an excellent antimony nitrate nonlinear optical material with a strong second harmonic generation response fabricated by a rational multi-component design44RbSbSO 4 Cl 2 : an excellent sulfate nonlinear optical material generated due to the synergistic effect of three asymmetric chromophores79RE(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 ) − group31Pb4B6O13: A Polar Lead Oxyborate with Uncommon ∞(B6O12)6– Layers Exhibiting a Large Second Harmonic Generation Response15Abrupt Structural Transformation in Asymmetric ABPO4F (A = K, Rb, Cs)21Lone‐Pair Enhanced Birefringence in an Alkaline‐Earth Metal Tin(II) Phosphate BaSn 2 (PO 4 ) 2130KLi(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 Sulfates268Targeting the Next Generation of Deep-Ultraviolet Nonlinear Optical Materials: Expanding from Borates to Borate Fluorides to Fluorooxoborates450CsSbF 2 SO 4 : An Excellent Ultraviolet Nonlinear Optical Sulfate with a KTiOPO 4 (KTP)‐type Structure87CsSbF2SO4: An Excellent Ultraviolet Nonlinear Optical Sulfate with a KTiOPO4 (KTP)‐type Structure432Designing Three Fluorooxoborates with a Wide Transmittance Window by Anionic Group Substitution15Module-Analysis-Assisted Design of Deep Ultraviolet Fluorooxoborates with Extremely Large Gap and High Structural Stability109An analysis of structural and spectroscopic signatures, the reactivity study of synthetized 4,6-dichloro-2-(methylsulfonyl)pyrimidine: A potential third-order nonlinear optical material34Rational Design and Synthesis of a Deep-Ultraviolet Nonlinear Optical Fluorinated Orthophosphate: BaZn(PO4)F16Prediction of the Linear and Nonlinear Optical Properties of a Schiff Base Derivatives via DFT23Cs3Na(H2C3N3O3)4·3H2O: A Mixed Alkali‐Metal Hydroisocyanurate Nonlinear Optical Material Containing π‐Conjugated Six‐Membered‐Ring Units68Deep-Ultraviolet Mixed-Alkali-Metal Borates with Induced Enlarged Birefringence Derived from the Structure Rearrangement of the LiB3O545Sr 6 Cd 2 Sb 6 O 7 S 10 : Strong SHG Response Activated by Highly Polarizable Sb/O/S Groups124Sr6Cd2Sb6O7S10: Strong SHG Response Activated by Highly Polarizable Sb/O/S Groups22Be2CO3F2 Monolayer: A Flexible Ultraviolet Nonlinear Optical Material via Rational Design6KNa 4 B 2 P 3 O 13 : A Deep-Ultraviolet Transparent Borophosphate Exhibiting Second-Harmonic Generation Response26Poly(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 Prediction14Parallel Alignment of π-Conjugated Anions in Hydroisocyanurates Enhancing Optical Anisotropy25Effect of Gd3+ doping on structural, morphological, optical, dielectric, and nonlinear optical properties of high-quality PbI2 thin films for optoelectronic applications42Rb7SrY2(B5O10)3: A Rare-Earth Pentaborate with Moderate Second-Harmonic Response and Interesting Phase-Matching Behavior29Centrosymmetric Rb2Mg3(SO4)4 and non-centrosymmetric Cs2Mg3(SO4)4 with a phase-matching nonlinear optical response35Facile 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 relationships146A Comprehensive Topological Analysis on a New Bromine-Chalcone with Potential Nonlinear Optical Properties7Growth and characterization of a new chlorine substituted chalcone: A third order nonlinear optical material18Enhanced nonlinear optics properties of a bromine chalcone from a novel polymorph12RbNa(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 Uncommon Hypervalent Fluorooxosilicophosphate5First-Principles Design and Simulations Promote the Development of Nonlinear Optical Crystals299KMg(H 2 O)PO 4 : A Deep-Ultraviolet Transparent Nonlinear Optical Material Derived from KTiOPO 483CsAlB 3 O 6 F: a beryllium-free deep-ultraviolet nonlinear optical material with enhanced thermal stability153Emergent Deep‐Ultraviolet Nonlinear Optical Candidates324Neue Kandidaten für die nichtlineare Optik im Tief‐UV‐Bereich43“Old dog, new tricks”: the lone pair effect inducing divergent optical responses in lead cyanurates containing π-bonds18NaRb3B6O9(OH)3(HCO3): A Borate-Bicarbonate Nonlinear Optical Material18Syntheses, characterization, and theoretical calculation of Rb2Mg3(P2O7)2 polymorphs with deep-ultraviolet cutoff edges18Alkali-earth metal lead( ii ) oxyhalide Ba 27 Pb 8 O 8 Cl 54 exhibiting interesting [Pb 4 Ba 4 O 4 ] 8+ species8Li2K4TiOGe4O12: A Stable Mid-Infrared Nonlinear Optical Material69Ba 6 BO 3 Cl 9 and Pb 6 BO 4 Cl 7 : structural insights into ortho -borates with uncondensed BO 4 tetrahedra10Hexagonal tungsten oxides with large bandgaps synthesized by a chemical substitution method31Li 3 CaB 2 O 5 F: a unique sandwich-like structure with diverse and wide Li ion diffusion pathways5PbSrSiO 4 : a new ultraviolet nonlinear optical material with a strong second harmonic generation response and moderate birefringence37Synthesis and characterization of three new rare-earth orthoborates: Ba 2 MgY 2 (BO 3 ) 4 , Ba 2 CdY 2 (BO 3 ) 4 , and Ba 2 CdSc(BO 3 ) 310Theoretical study of solvent effects on the hyperpolarizabilities of two chalcone derivatives8Y-shaped potential third-order nonlinear optical material – 3-(2-amino-2-oxoethyl)-5-methyl hexanoic acid: an analysis of structural, spectroscopic and docking studies10The UV-phosphor strontium fluorooxoborate Sr[B5O7F3]:Eu10Infrared Nonlinear Optical Polymorphs α- and β-SrCu 2 SnS 4 Exhibiting Large Second Harmonic Generation Responses with Requisite Phase-Matching Behavior44PbB5O7F3: A High-Performing Short-Wavelength Nonlinear Optical Material120Synthesis, Crystal Structure, and Characterization of a Noncentrosymmetric Sulfate Cs2Ca2(SO4)320Rational Design of the Nonlinear Optical Response in a Tin Iodate Fluoride Sn(IO3)2F290Synthesis, crystal structure, spectroscopic and nonlinear optical properties of organic salt: A combined experimental and theoretical study14Lead 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 Materials55An analysis of spectroscopic, computational and biological activity studies of L-shaped sulfamoylbenzoic acid derivatives: A third order nonlinear optical material29Designing a Deep-UV Nonlinear Optical Fluorooxosilicophosphate127Understanding the Linear and Second-Order Nonlinear Optical Properties of UiO-66-Derived Metal–Organic Frameworks: A Comprehensive DFT Study52Hydrogen-Bond-Assisted Reinforcement of Interlayer Connections in Zn2BO3X·H2O (X = Cl, Br): Two UV Nonlinear Optical Crystals with KBBF-Type Structure9Syntheses, characterization and calculations of LimAnM6O15 (A=Rb, Cs; M=Si, Ge; m+n=6)18Second-Order Nonlinear-Optical-Active Selenide Borate YSeBO2: Featuring a [YSeBO2]n Planar Belt39Deep-ultraviolet nonlinear optical crystals by design: A computer-aided modeling blueprint from first principles45Rational Design of the Metal‐Free KBe 2 BO 3 F 2 ⋅(KBBF) Family Member C(NH 2 ) 3 SO 3 F with Ultraviolet Optical Nonlinearity201Rational Design of the Metal‐Free KBe2BO3F2⋅(KBBF) Family Member C(NH2)3SO3F with Ultraviolet Optical Nonlinearity31Two Pyrophosphates with Large Birefringences and Second‐Harmonic Responses as Ultraviolet Nonlinear Optical Materials137Two Pyrophosphates with Large Birefringences and Second‐Harmonic Responses as Ultraviolet Nonlinear Optical Materials29AGa 3 F 6 (SeO 3 ) 2 (A = Rb, Cs): A New Type of Phase-Matchable Hexagonal Tungsten Oxide Material with Strong Second-Harmonic Generation Responses63A(H3C3N3O3)(NO3) (A = K, Rb): Alkali-Metal Nitrate Isocyanurates with Strong Optical Anisotropy47Sr5Ga8O3S14: A Nonlinear Optical Oxysulfide with Melilite-Derived Structure and Wide Band Gap48First-Principles High-Throughput Screening Pipeline for Nonlinear Optical Materials: Application to Borates106A UV birefringent crystal: RbNH4(H2C3N3O3)2·2H2O14K 2 Sb(P 2 O 7 )F: Cairo Pentagonal Layer with Bifunctional Genes Reveal Optical Performance297K2Sb(P2O7)F: Cairo Pentagonal Layer with Bifunctional Genes Reveal Optical Performance38Realizing 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− unit2Zn3B7O13Cl: A New Deep-Ultraviolet Transparency Nonlinear Optical Crystal with Boracite Structure24A Study of the Nonlinear Optical Properties of Stilbazolium Derivative Crystal3Pb 18 O 8 Cl 15 I 5 : A Polar Lead Mixed Oxyhalide with Unprecedented Architecture and Excellent Infrared Nonlinear Optical Properties165Pb18O8Cl15I5: A Polar Lead Mixed Oxyhalide with Unprecedented Architecture and Excellent Infrared Nonlinear Optical Properties29Anionic Aliovalent Substitution from Structure Models of ZnS: Novel Defect Diamond‐like Halopnictide Infrared Nonlinear Optical Materials with Wide Band Gaps and Large SHG Effects78Anionic Aliovalent Substitution from Structure Models of ZnS: Novel Defect Diamond‐like Halopnictide Infrared Nonlinear Optical Materials with Wide Band Gaps and Large SHG Effects19A2BBi2(PO4)2(P2O7) (A = K, Rb, B = Pb, Cd): the Effect of Cation Sizes on Structural Evolution10A 3 BBi(P 2 O 7 ) 2 (A = Rb, Cs; B = Pb, Ba): Isovalent Cation Substitution to Sustain Large Second-Harmonic Generation Responses106La1-Eu B4O6(OH)2Cl (0 ≤ x ≤ 0.54): Strong 4f-4f excitations due to the noncentrosymmetric and oxychloride coordination of Eu3+3Two Mixed-Anion Units of [GeOSe3] and [GeO3S] Originating from Partial Isovalent Anion Substitution and Inducing Moderate Second Harmonic Generation Response and Large Birefringence55Bi 32 Cd 3 P 10 O 76 : a new congruently melting nonlinear optical crystal with a large SHG response and a wide transparent region24Ba 2 B 7 O 12 F with novel FBB [B 7 O 16 F] and deep-ultraviolet cut-off edge31Giant Optical Anisotropy in the UV‐Transparent 2D Nonlinear Optical Material Sc(IO 3 ) 2 (NO 3 )212Giant Optical Anisotropy in the UV‐Transparent 2D Nonlinear Optical Material Sc(IO 3 ) 2 (NO 3 )57Layered oxide B2S2O9 with a deep-ultraviolet band gap and a strong and robust second-harmonic generation32From silicates to oxonitridosilicates: improving optical anisotropy for phase-matching as ultraviolet nonlinear optical materials47Borates: A Rich Source for Optical Materials1089Predicting Berborite as Potential Deep-Ultraviolet Nonlinear Optical Crystal from First Principles29K 3 B 4 PO 10 and K 2 MB 4 PO 10 (M = Rb/Cs): rare mixed-coordinated borophosphates with large birefringence33

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  1. Cation-tuned synthesis of the A 2 SO 4 ·SbF 3 (A = Na + , NH 4 + , K + , Rb + ) family with nonlinear optical properties

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  2. Cs 3 VO(O 2 ) 2 CO 3 : an exceptionally thermostable carbonatoperoxovanadate with an extremely large second-harmonic generation response

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  4. K 11 RbB 28 O 48 : a new triple-layered borate with an unprecedented [B 28 O 57 ] fundamental building block

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  5. Li 8 NaRb 3 (SO 4 ) 6 ·2H 2 O as a new sulfate deep-ultraviolet nonlinear optical material

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  6. Perfect balance harmony in Ba 2 NO 3 (OH) 3 : a beryllium-free nitrate as a UV nonlinear optical material

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  7. Deep-ultraviolet nonlinear optical materials: Development trend and innovative exploration

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  8. CaB5O7F3: A Beryllium-Free Alkaline-Earth Fluorooxoborate Exhibiting Excellent Nonlinear Optical Performances

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  9. 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 · 2018-04-20

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

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  11. Exploring Potential Beryllium-free, Deep-Ultraviolet Optical Crystals in the Rare Earth Fluoride Carbonate–Water System

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  16. Non-centrosymmetric BaNaP3O9 with a short deep-ultraviolet cutoff edge

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

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

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

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  30. Ba2NaClP2O7: Unprecedented Phase Matchability Induced by Symmetry Breaking and Its Unique Fresnoite-Type Structure

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  31. Na 3 B 7 O 11 F 2 : a new sodium-rich fluorooxoborate with a unique [B 14 O 24 F 4 ] ring and a short ultraviolet absorption edge

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  32. Monofluorophosphates: A New Source of Deep-Ultraviolet Nonlinear Optical Materials

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  33. The linear and nonlinear optical response of CsGeX3 (X=Cl, Br, and I): The finite field and first-principles investigation

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

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  35. 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 · 2018-11-29

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

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

    Inorganic Chemistry · 2018-12-20

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

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  37. 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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  38. “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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  39. 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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  40. 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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  41. An energy band engineering design to enlarge the band gap of KTiOPO 4 (KTP)-type sulfates via aliovalent substitution

    Journal of Materials Chemistry C · 2019-01-01

    Fei Yang, Lijuan Huang, Lijuan Huang, Xiaoyu Zhao, Ling Huang, Ling Huang, Daojiang Gao, Jian Bi, Xin Wang, Guohong Zou

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  42. Ba 3 Ca 4 (BO 3 ) 3 (SiO 4 )Cl: a new non-centrosymmetric complex alkaline-earth metal borosilicate chloride with a deep-ultraviolet cut-off edge

    Inorganic Chemistry Frontiers · 2019-01-01

    Zixiu Lu, Fangfang Zhang, Abudukadi Tudi, Sujuan Yu, Zhihua Yang, Shilie Pan

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  43. 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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  44. Chloride carbodiimide K 12 Pb 51 (CN 2 ) 30 Cl 54 with an unprecedented 45 Å unit cell axis and a large birefringence

    New Journal of Chemistry · 2019-01-01

    Xianghe Meng, Fei Liang, Wenlong Yin, Zheshuai Lin, Mingjun Xia

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  45. 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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  46. Fluoroborophosphates: a family of potential deep ultraviolet NLO materials

    Inorganic Chemistry Frontiers · 2019-01-01

    Baolin Wu, Chun‐Li Hu, Ru‐Ling Tang, Fei‐Fei Mao, Jianghe Feng, Jiang‐Gao Mao

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  47. K 2 SrP 4 O 12 : a deep-UV transparent cyclophosphate as a nonlinear optical crystal

    Chemical Communications · 2019-01-01

    Zhiyong Bai, Lehui Liu, Lizhen Zhang, Yisheng Huang, Feifei Yuan, Zhoubin Lin

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  48. LiGeBO 4 : a nonlinear optical material with a balance between deep-ultraviolet cut-off edge and large SHG response induced by hand-in-hand tetrahedra

    Inorganic Chemistry Frontiers · 2019-01-01

    Qiong Liu, Cong Hu, Xin Su, Maierhaba Abudoureheman, Shilie Pan, Zhihua Yang

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  49. 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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  50. M 2 (SeO 3 )F 2 (M = Zn, Cd): understanding the structure directing effect of [SeO 3 ] 2− groups on constructing ordered oxyfluorides

    CrystEngComm · 2019-01-01

    Fengguang You, Pifu Gong, Fei Liang, Xingxing Jiang, Heng Tu, Ying Zhao, Zhanggui Hu, Zheshuai Lin

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