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RESEARCH PAPER · Chemical Science · 2020

Novel ultraviolet (UV) nonlinear optical (NLO) materials discovered by chemical substitution-oriented design

Guohong Zou, Kang Min Ok

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Novel ultraviolet (UV) nonlinear optical (NLO) materials discovered by chemical substitution-oriented designOriginalCicle econòmic i serveis socials0Hexagonal tungsten oxides with large bandgaps synthesized by a chemical substitution method31Multifunctional Zn( ii )–Yb( iii ) complex enantiomers showing second-harmonic generation, near-infrared luminescence, single-molecule magnet behaviour and proton conduction70RbB 3 O 4 F 2 : a rubidium fluorooxoborate with an unprecedented [B 3 O 5 F 2 ] 3− functionalized unit and a large birefringence37Two new ammonium/alkali-rare earth metal difluorophosphates ALa(PO 2 F 2 ) 4 (A = NH 4 and K) with moderate birefringence and short cutoff edges26[ABa2Cl][Ga4S8] (A = Rb, Cs): Wide-Spectrum Nonlinear Optical Materials Obtained by Polycation-Substitution-Induced Nonlinear Optical (NLO)-Functional Motif Ordering269Rational 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 Nonlinearity31Ba2[MoO3(OH)(IO3)2]IO3: A Promising SHG Material Featuring a Λ-Shaped Functional Motif Achieved by Universal Mono-Site Substitution50K 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 Performance38The study of structure evolvement of KTiOPO4 family and their nonlinear optical properties98Salt-Inclusion Chalcogenide [Ba4Cl2][ZnGa4S10]: Rational Design of an IR Nonlinear Optical Material with Superior Comprehensive Performance Derived from AgGaS2134CsHgNO3Cl2: A New Nitrate UV Birefringent Material Exhibiting an Optimized Layered Structure49Anionic 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 Effects19From Ag2Zr(IO3)6 to LaZr(IO3)5F2: A Case of Constructing Wide‐band‐gap Birefringent Materials through Chemical Cosubstitution11A 3 BBi(P 2 O 7 ) 2 (A = Rb, Cs; B = Pb, Ba): Isovalent Cation Substitution to Sustain Large Second-Harmonic Generation Responses106Explorations of Second-Order Nonlinear Optical Materials in the Alkaline Earth Barbiturate System: Noncentrosymmetric Ca(H3C4N2O3)2·H2O and Centrosymmetric Sr(H5C8N4O5)2·4H2O23Chalcophosphates: A Treasure House of Infrared Nonlinear Optical Materials75Y 2 (Te 4 O 10 )(SO 4 ): a new sulfate tellurite with a unique Te 4 O 10 polyanion and large birefringence36AMnAs3S6 (A = Cs, Rb): Phase-Matchable Infrared Nonlinear Optical Functional Motif [As3S6]3– Obtained via Surfactant–Thermal Method32Comprehensive Density Functional Theory Studies of Vibrational Spectra of Carbonates63NaZnCO 3 (OH): A High-Performance Carbonate Ultraviolet Nonlinear Optical Crystal Derived from KBe 2 BO 3 F 2194Crystal growth, characterization and theoretical studies of the noncentrosymmetric compound Al3(IO3)9·(HIO3)6·18H2O4From silicates to oxonitridosilicates: improving optical anisotropy for phase-matching as ultraviolet nonlinear optical materials47Chiral Template‐Driven Macroscopic Chirality Control: Structure‐Second‐Harmonic Generation Properties Relationship24[GaF(H 2 O)][IO 3 F]: a promising NLO material obtained by anisotropic polycation substitution42Centrosymmetric RbSnF 2 NO 3 vs. noncentrosymmetric Rb 2 SbF 3 (NO 3 ) 254Co-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 birefringence13DFT study of superhalogen and superalkali doped graphitic carbon nitride and its non-linear optical properties63Five new rubidium borates with 0D clusters, 1D chains, 2D layers and 3D frameworks15From [B 6 O 13 ] 8− to [GaB 5 O 13 ] 8− to [Ga{B 5 O 9 (OH)}{BO(OH) 2 }] 2− : synthesis, structure and nonlinear optical properties of new metal borates10From centrosymmetric to noncentrosymmetric: effect of the cation on the crystal structures and birefringence values of (NH 4 ) n−2 AE(PO 2 F 2 ) n (AE = Mg, Sr and Ba; n = 2, 3 and 4)9Li 5 Cs(SO 4 ) 3 : a potential zero-order wave plate material with short deep-ultraviolet cutoff edge20Novel noncentrosymmetric polar coordination compounds derived from chiral histidine ligands36Three mixed-alkaline-metal borates with {Li@B 12 O x (OH) 24− x } ( x = 18, 22) clusters: from isolated oxoboron cluster to unusual layer11Unexpected aliovalent cation substitution between two NLO materials LiBa 3 Bi 6 (SeO 3 ) 7 F 11 and Ba 3 Bi 6.5 (SeO 3 ) 7 F 10.5 O 0.518Zn(NH 3 )CO 3 : a “three-in-one” UV nonlinear optical crystal built by a polar molecule bonding strategy18Different mechanism of stereochemical activity and birefringence in post-transition metal halides: A first-principles investigation1[C(NH2)3]3PO4·2H2O: A new metal-free ultraviolet nonlinear optical phosphate with large birefringence and second-harmonic generation response70La2SrB8O16: A new rare earth borate with [B8O20]16− groups exhibiting a deep ultraviolet cutoff edge10LiZn(OH)CO3: A Deep‐Ultraviolet Nonlinear Optical Hydroxycarbonate Designed from a Diamond‐like Structure180LiZn(OH)CO3: A Deep‐Ultraviolet Nonlinear Optical Hydroxycarbonate Designed from a Diamond‐like Structure10Polar polymorphism: β-Ca2[B5O8(OH)]2[B(OH)3]·H2O—synthesis, structure and nonlinear optical property11Effect of the side-chain length and NLO properties of the N-ethyl-N,N,N-trialkylammonium ionic liquids – A DFT study3Steric Group Design for Enhancement of Optical Nonlinearity in Isoxazolone-Based Crystals and Terahertz-Wave Generation19K5Mg2La3(BO3)6: An Efficient, Deep-Ultraviolet Nonlinear Optical Material70From Centrosymmetry to Noncentrosymmetry: Tailoring the Structural Arrangements of Carbonates with Strong Nonlinear Optical Response through Partial Anion Substitution33Be2(BO3)(IO3): The First Anion‐mixed Van der Waals Member in the KBe2BO3F2 Family with a Very Strong Second Harmonic Generation Response130Be2(BO3)(IO3): The First Anion‐mixed Van der Waals Member in the KBe2BO3F2 Family with a Very Strong Second Harmonic Generation Response8High-Performance Second-Harmonic-Generation (SHG) Materials: New Developments and New Strategies323Fluorine‐Driven Enhancement of Birefringence in the Fluorooxosulfate: A Deep Evaluation from a Joint Experimental and Computational Study139Hydrogen‐Bond‐Driven Synergistically Enhanced Hyperpolarizability: Chiral Coordination Polymers with Nonpolar Structures Exhibiting Unusually Strong Second‐Harmonic Generation87Hydrogen‐Bond‐Driven Synergistically Enhanced Hyperpolarizability: Chiral Coordination Polymers with Nonpolar Structures Exhibiting Unusually Strong Second‐Harmonic Generation19Na2Rb2SrB18O30 with [B9O19]11− fundamental building block consisting of three [B3O7]5− groups5Sr2Pb(BeB5O10)(BO3): An Excellent Ultraviolet Nonlinear-Optical Beryllium Borate by the Pb-Modified Construction of a Conjugated System and Lone-Pair Effect14Linear and Nonlinear Optical Properties of Centrosymmetric Sb 4 O 5 SO 4 and Noncentrosymmetric Sb 4 O 4 (SO 4 )(OH) 2 Induced by Lone Pair Stereoactivity55From borophosphate to fluoroborophosphate: a rational design of fluorine-induced birefringence enhancement33Transition-metal-based chalcogenides: A rich source of infrared nonlinear optical materials184Sn2PO4I: An Excellent Birefringent Material with Giant Optical Anisotropy in Non π‐Conjugated Phosphate212Sn2PO4I: An Excellent Birefringent Material with Giant Optical Anisotropy in Non π‐Conjugated Phosphate22Noncentrosymmetric Rb3(COOH)3(H3BO3)2 vs Centrosymmetric Cs3(COOH)3(H3BO3)214Achieving Short‐Wavelength Phase‐Matching Second Harmonic Generation in Boron‐Rich Borosulfate with Planar [BO3] Units102Achieving Short‐Wavelength Phase‐Matching Second Harmonic Generation in Boron‐Rich Borosulfate with Planar [BO3] Units9Chalcogen Bond Involving Zinc(II)/Cadmium(II) Carbonate and Its Enhancement by Spodium Bond9Constructing a simple Cone–Chain motif to significantly enhance the first hyperpolarizability of horn-shaped carbon nanocones0NH4Sb2(C2O4)F5: A novel UV nonlinear optical material synthesized in deep eutectic solvents38AAl3P6O20 (A = Rb, Cs): Two deep-ultraviolet transparent nonlinear optical materials designed by aliovalent substitution11Two molybdenyl carbonates with different dimensional structures exhibiting huge differences in band gaps7Ca-cluster-constructed deep-ultraviolet nonlinear-optical crystal Na2Ca17Al2(PO4)14 with strong NLO response11CsCu 3 SbS 4 : rational design of a two-dimensional layered material with giant birefringence derived from Cu 3 SbS 442K 3 V 2 O 3 F 4 (IO 3 ) 3 : a high-performance SHG crystal containing both five and six-coordinated V 5+ cations33Nanoarchitectonics of heterometallic compound Al4Bi4 for optical limiting2Noncentrosymmetric (KBa0.5)In2Se4 and (K0.58Ba0.71)(Ga0.89In1.11)Se4 derived from centrosymmetric BaIn2Se4 via partial cation substitution: structural chemistry and nonlinear optical activity9LiNbTeO5: A High-Performance Multifunctional Crystal Material with a Very Large Second-Harmonic Generation Response and Piezoelectric Coefficient52Na4B8O9F10: A Deep‐Ultraviolet Transparent Nonlinear Optical Fluorooxoborate with Unexpected Short Phase‐Matching Wavelength Induced by Optimized Chromatic Dispersion133Na4B8O9F10: A Deep‐Ultraviolet Transparent Nonlinear Optical Fluorooxoborate with Unexpected Short Phase‐Matching Wavelength Induced by Optimized Chromatic Dispersion13BaSc 2 (HPO 3 ) 4 (H 2 O) 2 : a new nonlinear optical phosphite exhibiting a 3D {[Sc 2 (HPO 3 ) 4 ] 2− } ∞ anionic framework and phase-matchable SHG effect32Cs 2 VOF 4 (IO 2 F 2 ): Rationally designing a noncentrosymmetric early-transition-metal fluoroiodate24From oxides to oxysulfides: the mixed-anion GeS 3 O unit induces huge improvement in the nonlinear optical effect and optical anisotropy for potential nonlinear optical materials19Halogen regulation triggers structural transformation from centrosymmetric to noncentrosymmetric switches in tin phosphate halides Sn 2 PO 4 X (X = F, Cl)47Hexameric poly-fluoroberyllophosphate Na 4 Be 2 PO 4 F 5 with moderate birefringence and deep-ultraviolet transmission as a potential zero-order-waveplate crystal17KF·B(OH) 3 : a KBBF-type material with large birefringence and remarkable deep-ultraviolet transparency33KLi 2 CO 3 F: a beryllium-free KBBF-type deep-UV carbonate with an enhanced interlayer interaction and large birefringence20Large optical anisotropy-oriented construction of a carbonate-nitrate chloride compound as a potential ultraviolet birefringent material44Li 6.58 Na 7.43 Sr 4 (B 9 O 18 )(B 12 O 24 )Cl: unprecedented combination of the largest two highly polymerized isolated B–O clusters with novel isolated B 9 O 18 FBB18Na 3 B 6 O 10 (HCOO): an ultraviolet nonlinear optical sodium borate-formate33Na 3 YB 8 O 15 : a new rare-earth borate with an infinite one-dimensional [B 8 O 15 ] ∞ chain and a short ultraviolet cutoff edge8Rational design via dual-site aliovalent substitution leads to an outstanding IR nonlinear optical material with well-balanced comprehensive properties68Synergistic effect of 2 [V 2 P 2 O 14 ] ∞ layers and hydrogen bonds inducing large birefringence in M(VO) 2 (PO 4 ) 2 ·4H 2 O (M = Ca, Sr, Ba) systems4Wide bandgaps and strong SHG responses of hetero-oxyfluorides by dual-fluorination-directed bandgap engineering28HgTeO2F(OH): A Nonlinear Optical Oxyfluoride Constructed of Active [TeO2F(OH)]2– Pyramids and V-Shaped [HgO2]2– Groups36Na 3 Ti 3 O 3 (SeO 3 ) 4 F: A Phase-Matchable Nonlinear-Optical Crystal with Enlarged Second-Harmonic-Generation Intensity and Band Gap20Study of RBO3-ScBO3 phase diagrams and RSc3(BO3)4 orthoborates (R = La, Pr and Nd)19Ba2B10O16(OH)2·(H3BO3)(H2O): A Possible Deep-Ultraviolet Nonlinear-Optical Barium Borate36Rb5Ba2(B10O17)2(BO2): The formation of unusual functional [BO2]− in borates with deep-ultraviolet transmission window62Nonlinear optical and detonation properties of semiorganic nitrate crystal C6H14N2(NO3)3·H3O8Noncentrosymmetric Rare-Earth Borate Fluoride La2B5O9F3: A New Ultraviolet Nonlinear Optical Crystal with Enhanced Linear and Nonlinear Performance48Crystal Growth and Physical Properties of the Nonlinear Optical Crystal KLi(HC3N3O3)·2H2O15Alkali metal sulfate: A new non-π-conjugated deep-ultraviolet quasi-phase matching crystal27Lone Pair-Driven Enhancement of Birefringence in Polar Alkali Metal Antimony Phosphates46Realization of Enlarged Birefringence from BaCdBe2(BO3)2F2 to NaMgBe2(BO3)2F via the Cation Size Effect as a Potential Deep-Ultraviolet Birefringent Material18Negative Second Harmonic Response of Sn4+in the Fresnoite Oxysulfide Ba2SnSSi2O720Double‐Modification Oriented Design of a Deep‐UV Birefringent Crystal Functionalized by [B12O16F4(OH)4] Clusters9Double‐Modification Oriented Design of a Deep‐UV Birefringent Crystal Functionalized by [B12O16F4(OH)4] Clusters139Enhancement of Birefringence in Borophosphate Pushing Phase-Matching into the Short-Wavelength Region150Electronic, Non-Linear Optical, Optoelectronic and Thermodynamic properties of undoped and doped bis (ethlenedithio) tetraselenafulvalene (BETS) (C10H8S4Se4)molecule: first study using ab-initio investigation0RbBiP2S6: A Promising IR Nonlinear Optical Material with a Giant Second-Harmonic Generation Response Designed by Aliovalent Substitution80(NH4)3B11PO19F3: a deep-UV nonlinear optical crystal with unique [B5PO10F]∞ layers142Novel pull–push organic switches with D–π–A structural designs: computational design of star shape organic materials38Doping of superalkali and superhalogen on graphene quantum dot surfaces to enhance nonlinear optical response: An efficient strategy for fabricating novel electro-optical materials36Two Metal Phosphate Nonlinear Optical Materials Simultaneously Exhibiting Ultraviolet Transparence and a Large Birefringence50AgGaSe2-Inspired Nonlinear Optical Materials: Tetrel Selenides of Alkali Metals and Mercury34Efficient and Tunable Enhancement of NLO Performance for Indaceno Based Donor Moiety in A-π-D-π-D-π-A Type First DSSC Design by End Capped Acceptors0A comprehensive review on metal chalcogenides with three-dimensional frameworks for infrared nonlinear optical applications114NH4IO2F2 and (NH4)3(IO2F2)3·H2O: A Series of Ammonium-Containing Fluoroiodates with Wide Band Gaps12Sharp Enhancement of Birefringence in Antimony Oxalates Achieved by the Cation–Anion Synergetic Interaction Strategy38(Na0.74Ag1.26)BaSnS4: A New AgGaS2‐Type Nonlinear Optical Sulfide with a Wide Band Gap and High Laser Induced Damage Threshold14Mixed-Anion-Oriented Design of LnMGa3S6O (Ln = La, Pr, and Nd; M = Ca and Sr) Nonlinear Optical Oxysulfides with Targeted Property Balance56Crystal Growth of K2HCO3F·H2O with a Very Short Cutoff Edge and Large Birefringence17Electronic, non-linear optical, optoelectronic, and thermodynamic properties of undoped and doped bis (ethylenedithio) tetraselenafulvalene (BETS) (C10H8S4Se4) molecule: first study using ab initio investigation7Tailored Ordered Structures with Functional Units of Distorted [NbO6] and Antiparallel [GeO4] for Enhanced Birefringence in Germanate Crystal15The crystal structure of poly[6,6′-oxybis(4-(pyridin-1-ium-1-yl)-1,3,5,2,4,6-trioxatriborinan-2-olate)], [B6O9](C5H5N)20[C(NH2)3]2MoO2F4·H2O: Unique Chinese-Knot Structure Revealing Superior Nonlinear-Optical Properties19Oxychalcogenides as Promising Ultraviolet Nonlinear Optical Candidates: Experimental and Theoretical Studies of AEGeOS2(AE = Sr and Ba)24BaSb(H2PO2)3Cl2: An excellent UV nonlinear optical hypophosphite exhibiting strong second-harmonic generation response32Syntheses, structures, and optical properties of n = 3 layered Dion–Jacobson perovskites, RbEu2-Bi Ti2NbO10 (0 ≤ x ≤ 2)1SbHPO3F: 2D van der Waals Layered Phosphite Exhibiting Large Birefringence32Alkali metal (Na and Li) doped C18 nanocluster with boosted electronic and nonlinear optical properties7Designing neodymium-doped hexamine complexant as novel IR NLO material with extremely large non-linear optical behavior2Growth, Structure, and Optical Properties of a Nonlinear Optical Niobium Borate Crystal CsNbOB2O5 with Distorted NbO5 Square Pyramids13Local Polarity-Induced Assembly of Second-Order Nonlinear Optical Materials128Synthesis, characterization, DFT studies, and molecular modeling of hydrazinelidene‐3‐oxo‐3‐(p‐olyl) propanal derivatives as potential candidate for Hepatitis B and C treatment5LiNaB6O9F2: A Promising UV NLO Crystal Having Fluorine‐Directed Optimal Performances and Double Interpenetrating 3[B6O9F2]∞ Networks33Rb 3 B 5 O 8 F 2 and K 0.6 Rb 2.4 B 5 O 8 F 2 : two new deep-ultraviolet transparent nonlinear optical fluorooxoborates designed by cation regulation13Trade-Off for Better Balanced Nonlinear Optical Performance with Disordered Si in ZnGeP217Efficient and tunable enhancement of NLO performance for indaceno-based donor moiety in A-π-D-π-D-π-A type first DSSC design by end-capped acceptors35Rb 3 B 11 P 2 O 23 : Materials Design of a New Chemically Benign Deep-Ultraviolet Nonlinear Optical Material58Self-assembly for hybrid biomaterial of uridine monophosphate to enhance the optical phenomena4Design of deep-ultraviolet nonlinear optical materials based on fundamental building blocks with excellent microscopic properties1A 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 properties10A new infrared nonlinear optical material BaZnGeS 4 with a wide band gap and large nonlinear optical response34An overview of Mg-based IR nonlinear optical materials22Cs[B 3 O 3 F 2 (OH) 2 ]: discovery of a hydroxyfluorooxoborate guided by selective organic–inorganic transformation13Honeycomb layered topology construction for exceptional long-wave infrared nonlinear optical crystals29KNa 2 La 2 (BO 3 ) 3 : a shortite-type lanthanide borate exhibiting strong nonlinear optical activity induced by isolated [BO 3 ] triangles and distorted [LaO 9 ] polyhedra26Li2AB5O8F2 (A = Na and K): two new deep-ultraviolet transparent fluorooxoborates with moderate birefringence designed by targeted dimensional modulation7LiVTeO 5 : a mid-infrared nonlinear optical vanadium tellurate crystal exhibiting enhanced second harmonic generation activities and notable birefringence21Low temperature molten salt synthesis of noncentrosymmetric (NH 4 ) 3 SbF 3 (NO 3 ) 3 and centrosymmetric (NH 4 ) 3 SbF 4 (NO 3 ) 234

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  1. Cicle econòmic i serveis socials

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  3. Multifunctional Zn( ii )–Yb( iii ) complex enantiomers showing second-harmonic generation, near-infrared luminescence, single-molecule magnet behaviour and proton conduction

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  4. RbB 3 O 4 F 2 : a rubidium fluorooxoborate with an unprecedented [B 3 O 5 F 2 ] 3− functionalized unit and a large birefringence

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  5. Two new ammonium/alkali-rare earth metal difluorophosphates ALa(PO 2 F 2 ) 4 (A = NH 4 and K) with moderate birefringence and short cutoff edges

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  6. [ABa2Cl][Ga4S8] (A = Rb, Cs): Wide-Spectrum Nonlinear Optical Materials Obtained by Polycation-Substitution-Induced Nonlinear Optical (NLO)-Functional Motif Ordering

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  7. Rational Design of the Metal‐Free KBe 2 BO 3 F 2 ⋅(KBBF) Family Member C(NH 2 ) 3 SO 3 F with Ultraviolet Optical Nonlinearity

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  8. Rational Design of the Metal‐Free KBe2BO3F2⋅(KBBF) Family Member C(NH2)3SO3F with Ultraviolet Optical Nonlinearity

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  9. Ba2[MoO3(OH)(IO3)2]IO3: A Promising SHG Material Featuring a Λ-Shaped Functional Motif Achieved by Universal Mono-Site Substitution

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  10. K 2 Sb(P 2 O 7 )F: Cairo Pentagonal Layer with Bifunctional Genes Reveal Optical Performance

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  11. K2Sb(P2O7)F: Cairo Pentagonal Layer with Bifunctional Genes Reveal Optical Performance

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  12. The study of structure evolvement of KTiOPO4 family and their nonlinear optical properties

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  13. Salt-Inclusion Chalcogenide [Ba4Cl2][ZnGa4S10]: Rational Design of an IR Nonlinear Optical Material with Superior Comprehensive Performance Derived from AgGaS2

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  15. Anionic Aliovalent Substitution from Structure Models of ZnS: Novel Defect Diamond‐like Halopnictide Infrared Nonlinear Optical Materials with Wide Band Gaps and Large SHG Effects

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  17. From Ag2Zr(IO3)6 to LaZr(IO3)5F2: A Case of Constructing Wide‐band‐gap Birefringent Materials through Chemical Cosubstitution

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  18. A 3 BBi(P 2 O 7 ) 2 (A = Rb, Cs; B = Pb, Ba): Isovalent Cation Substitution to Sustain Large Second-Harmonic Generation Responses

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  19. Explorations of Second-Order Nonlinear Optical Materials in the Alkaline Earth Barbiturate System: Noncentrosymmetric Ca(H3C4N2O3)2·H2O and Centrosymmetric Sr(H5C8N4O5)2·4H2O

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  20. Chalcophosphates: A Treasure House of Infrared Nonlinear Optical Materials

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  21. Y 2 (Te 4 O 10 )(SO 4 ): a new sulfate tellurite with a unique Te 4 O 10 polyanion and large birefringence

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  22. AMnAs3S6 (A = Cs, Rb): Phase-Matchable Infrared Nonlinear Optical Functional Motif [As3S6]3– Obtained via Surfactant–Thermal Method

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  23. Comprehensive Density Functional Theory Studies of Vibrational Spectra of Carbonates

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  24. NaZnCO 3 (OH): A High-Performance Carbonate Ultraviolet Nonlinear Optical Crystal Derived from KBe 2 BO 3 F 2

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  25. Crystal growth, characterization and theoretical studies of the noncentrosymmetric compound Al3(IO3)9·(HIO3)6·18H2O

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  26. From silicates to oxonitridosilicates: improving optical anisotropy for phase-matching as ultraviolet nonlinear optical materials

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  27. Chiral Template‐Driven Macroscopic Chirality Control: Structure‐Second‐Harmonic Generation Properties Relationship

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  30. Co-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 birefringence

    Dalton Transactions · 2021-01-01

    Jinhui Wang, Xinyuan Zhang, Fei Liang, Zhanggui Hu, Yicheng Wu

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  31. DFT study of superhalogen and superalkali doped graphitic carbon nitride and its non-linear optical properties

    RSC Advances · 2021-01-01

    Asmat Ullah Khan, Rasheed Ahmad Khera, Naveed Anjum, Rao Aqil Shehzad, Saleem Iqbal, Khurshid Ayub, Javed Iqbal M

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  32. Five new rubidium borates with 0D clusters, 1D chains, 2D layers and 3D frameworks

    CrystEngComm · 2021-01-01

    Qi–Ming Qiu, Kening Sun, Guo‐Yu Yang

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  33. From [B 6 O 13 ] 8− to [GaB 5 O 13 ] 8− to [Ga{B 5 O 9 (OH)}{BO(OH) 2 }] 2− : synthesis, structure and nonlinear optical properties of new metal borates

    CrystEngComm · 2021-01-01

    Qi–Ming Qiu, Guo‐Yu Yang

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  34. From centrosymmetric to noncentrosymmetric: effect of the cation on the crystal structures and birefringence values of (NH 4 ) n−2 AE(PO 2 F 2 ) n (AE = Mg, Sr and Ba; n = 2, 3 and 4)

    Dalton Transactions · 2021-01-01

    Wenyao Zhang, Wenqi Jin, Meng Cheng, Ruonan Zhang, Zhihua Yang, Shilie Pan

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  35. Li 5 Cs(SO 4 ) 3 : a potential zero-order wave plate material with short deep-ultraviolet cutoff edge

    New Journal of Chemistry · 2021-01-01

    Yuchen Yan, Yanna Chen, Bao Jiang, Qun Jing, Jun Zhang

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  36. Novel noncentrosymmetric polar coordination compounds derived from chiral histidine ligands

    Inorganic Chemistry Frontiers · 2021-01-01

    Wooyoung Seo, Kang Min Ok

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  37. Three mixed-alkaline-metal borates with {Li@B 12 O x (OH) 24− x } ( x = 18, 22) clusters: from isolated oxoboron cluster to unusual layer

    CrystEngComm · 2021-01-01

    Qi–Ming Qiu, Guo‐Yu Yang

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  38. Unexpected aliovalent cation substitution between two NLO materials LiBa 3 Bi 6 (SeO 3 ) 7 F 11 and Ba 3 Bi 6.5 (SeO 3 ) 7 F 10.5 O 0.5

    Chemical Communications · 2021-01-01

    Shuangshuang Shi, Chensheng Lin, Dan Zhao, Min Luo, Liling Cao, Guang Peng, Ning Ye

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  39. Zn(NH 3 )CO 3 : a “three-in-one” UV nonlinear optical crystal built by a polar molecule bonding strategy

    Journal of Materials Chemistry C · 2021-01-01

    Hong‐Xin Tang, Qirui Shui, Ruibiao Fu, Ziqi Zhou, Wen-Xiu Bao, Zuju Ma, Xin‐Tao Wu

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  40. Different mechanism of stereochemical activity and birefringence in post-transition metal halides: A first-principles investigation

    Journal of Solid State Chemistry · 2021-02-06

    Kui Wang, Qun Jing, Zhenzhen Wan, Ming‐Hsien Lee, Haiming Duan, Haibin Cao, Jun Zhang

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  41. [C(NH2)3]3PO4·2H2O: A new metal-free ultraviolet nonlinear optical phosphate with large birefringence and second-harmonic generation response

    Science China Materials · 2021-02-24

    Xin Wen, Chensheng Lin, Min Luo, Huixin Fan, Kaichuang Chen, Ning Ye

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  42. La2SrB8O16: A new rare earth borate with [B8O20]16− groups exhibiting a deep ultraviolet cutoff edge

    Journal of Solid State Chemistry · 2021-03-18

    Jingcheng Feng, Youquan Liu, Huimin Song, Wang Liu, Yuwei Chen, Zheshuai Lin, Heng Tu, Guochun Zhang

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  43. LiZn(OH)CO3: A Deep‐Ultraviolet Nonlinear Optical Hydroxycarbonate Designed from a Diamond‐like Structure

    Angewandte Chemie International Edition · 2021-04-06

    Xiaomeng Liu, Lei Kang, Pifu Gong, Zheshuai Lin

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  44. LiZn(OH)CO3: A Deep‐Ultraviolet Nonlinear Optical Hydroxycarbonate Designed from a Diamond‐like Structure

    Angewandte Chemie · 2021-04-06

    Xiaomeng Liu, Lei Kang, Pifu Gong, Zheshuai Lin

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  45. Polar polymorphism: β-Ca2[B5O8(OH)]2[B(OH)3]·H2O—synthesis, structure and nonlinear optical property

    Journal of Solid State Chemistry · 2021-04-19

    Qi–Ming Qiu, Xuyan Li, Chong‐An Chen, Kening Sun, Guo‐Yu Yang

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  46. Effect of the side-chain length and NLO properties of the N-ethyl-N,N,N-trialkylammonium ionic liquids – A DFT study

    Journal of Molecular Liquids · 2021-04-27

    Mónica Araceli Olea-Amezcua, J.E. Castellanos-Águila, Heriberto Hernández Cocoletzi, Edgar Ferreira, Mónica Trejo-Durán, Octavio Olivares Xometl, Natalya Victorovna Likhanova

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  47. Steric Group Design for Enhancement of Optical Nonlinearity in Isoxazolone-Based Crystals and Terahertz-Wave Generation

    Crystal Growth & Design · 2021-04-29

    Mingxiao Gao, Jiaxin Zhang, Xinyuan Zhang, Degang Xu, Zhanggui Hu, Jianquan Yao, Yicheng Wu

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  48. K5Mg2La3(BO3)6: An Efficient, Deep-Ultraviolet Nonlinear Optical Material

    Chemistry of Materials · 2021-05-21

    Runqing Liu, Hongping Wu, Hongwei Yu, Zhanggui Hu, Jiyang Wang, Yicheng Wu

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  49. From Centrosymmetry to Noncentrosymmetry: Tailoring the Structural Arrangements of Carbonates with Strong Nonlinear Optical Response through Partial Anion Substitution

    Advanced Optical Materials · 2021-05-22

    Xianghe Meng, Pifu Gong, Chunlan Tang, Wenlong Yin, Zheshuai Lin, Mingjun Xia

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  50. Be2(BO3)(IO3): The First Anion‐mixed Van der Waals Member in the KBe2BO3F2 Family with a Very Strong Second Harmonic Generation Response

    Angewandte Chemie International Edition · 2021-05-26

    Guang Peng, Chensheng Lin, Huixin Fan, Kaichuang Chen, Bingxuan Li, Ge Zhang, Ning Ye

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