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RESEARCH PAPER · Inorganic Chemistry · 2014

Na4La2(CO3)5 and CsNa5Ca5(CO3)8: Two New Carbonates as UV Nonlinear Optical Materials

Min Luo, Genxiang Wang, Chensheng Lin, Ning Ye, Yuqiao Zhou, Wendan Cheng

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Na4La2(CO3)5 and CsNa5Ca5(CO3)8: Two New Carbonates as UV Nonlinear Optical MaterialsOriginalChemInform Abstract: Na4La2(CO3)5 and CsNa5Ca5(CO3)8: Two New Carbonates as UV Nonlinear Optical Materials.0Development of nonlinear optical materials promoted by density functional theory simulations32Synthesis, Crystal Structure, and Optical Properties of a New Sodium‐Cadmium Carbonate Na4Cd3(CO3)4(OH)23Lanthanum Lead Oxide Hydroxide Nitrates with a Nonlinear Optical Effect30Sr 2 (OH) 3 NO 3 : the first nitrate as a deep UV nonlinear optical material with large SHG responses166Synthesis, characterization and theoretical studies of nonlinear optical crystal Sr 2 B 5 O 9 (OH)·H 2 O29Hydrothermal synthesis and photoluminescence properties of Eu3+ doped Na4La2(CO3)5 rod-like nanophosphors11Na4La2−2xTb2x(CO3)5 nanophosphors: Hydrothermal synthesis and photoluminescence properties4Structural Modulation of Anionic Group Architectures by Cations to Optimize SHG Effects: A Facile Route to New NLO Materials in the ATCO3F (A = K, Rb; T = Zn, Cd) Series114A new acentric borate of K2Ba[B4O5(OH)4]2·10H2O: synthesis, structure and nonlinear optical property8Alkali metal–alkaline earth metal borate crystal LiBa 3 (OH)(B 9 O 16 )[B(OH) 4 ] as a new deep-UV nonlinear optical material34Connecting effect on the first hyperpolarizability of armchair carbon–boron–nitride heteronanotubes: pattern versus proportion17Hierarchized band gap and enhanced optical responses of trivalent rare-earth metal nitrates due to (d–p)π conjugation interactions22Structure modulation, band structure, density of states and luminescent properties of columbite-type ZnNb 2 O 618Design and Syntheses of Three Novel Carbonate Halides: Cs 3 Pb 2 (CO 3 ) 3 I, KBa 2 (CO 3 ) 2 F, and RbBa 2 (CO 3 ) 2 F29Molecular Engineering as an Approach To Design a New Beryllium-Free Fluoride Carbonate as a Deep-Ultraviolet Nonlinear Optical Material101Rb2Na(NO3)3: A Congruently Melting UV-NLO Crystal with a Very Strong Second-Harmonic Generation Response71Positive and negative contribution to birefringence in a family of carbonates: A Born effective charges analysis36SrNO3(OH)·H2O: A new member in strontium nitrate hydrate family with an ultraviolet cut-off edge7A Polar Titanium–Organic Chain with a Very Large Second-Harmonic-Generation Response5Toward the Rational Design of Novel Noncentrosymmetric Materials: Factors Influencing the Framework Structures601Synthesis, Crystal Structure, and Nonlinear Optical Properties of a New Alkali and Alkaline Earth Metal Carbonate RbNa5Ca5(CO3)810Explorations of new UV nonlinear optical materials in the Na 2 CO 3 –CaCO 3 system37Noncentrosymmetric (NCS) solid solutions: elucidating the structure–nonlinear optical (NLO) property relationship and beyond21Role of spin–orbit interaction on the nonlinear optical response of CsPbCO 3 F using DFT35Solvent-controlled syntheses of mixed-alkali-metal borates exhibiting UV nonlinear optical properties23Structural Modulation of Nitrate Group with Cations to Affect SHG Responses in RE(OH)2NO3 (RE = La, Y, and Gd): New Polar Materials with Large NLO Effect after Adjusting pH Values of Reaction Systems151Design and Synthesis of a Series of Novel Mixed Borate and Carbonate Halides21Noncentrosymmetric Na2Ca4(CO3)5 Carbonate of “M13M23XY3Z” Structural Type and Affinity between Borate and Carbonate Structures for Design of New Optical Materials26Na 4 Ca(CO 3 ) 3 : a novel carbonate analog of borate optical materials20A Joint Strategy To Evaluate the Microscopic Origin of the Second-Harmonic-Generation Response in Nonpolar ABCO3F Compounds32Recent advances in ultraviolet and deep-ultraviolet second-order nonlinear optical crystals257Combination of d 10 -cations and fluorine anion as active participants to design novel borate/carbonate nonlinear optical materials24Syntheses, Crystal Structures and Properties of Two Novel Mixed Anion Hybrids with Formulas of Pb 6 O 2 (BO 3 ) 2 (C 2 O 4 ) and Pb 4 (CO 3 ) 2 (C 2 O 4 )(OH) 21Y2(CO3)3·H2O and (NH4)2Ca2Y4(CO3)9·H2O: Partial Aliovalent Cation Substitution Enabling Evolution from Centrosymmetry to Noncentrosymmetry for Nonlinear Optical Response37Y 8 O(OH) 15 (CO 3 ) 3 Cl: an excellent short-wave UV nonlinear optical material exhibiting an infrequent three-dimensional inorganic cationic framework61Refractive Index Modulates Second-Harmonic Responses in RE 8 O(CO 3 ) 3 (OH) 15 X (RE = Y, Lu; X = Cl, Br): Rare-Earth Halide Carbonates as Ultraviolet Nonlinear Optical Materials37The first barium lead oxychloride Ba27Pb8O8Cl54 with new isolated [Pb4O4] clusters3Transformation of Optical Anisotropy Origins in Perovskite-Related Materials: A First-Principles Study23From centrosymmetric to noncentrosymmetric: intriguing structure evolution in d 10 -transition metal iodate fluorides36Structure-property relationship in nonlinear optical materials with π-conjugated CO3 triangles146Ba3(BO3)(CO3)F: The First Borate Carbonate Fluoride Synthesized by the High‐Temperature Solution Method19Chromous carbonates containing a square-grid layer of {Cr 2 (CO 3 ) 4 } n 4n− based on a dichromium( ii , ii ) paddlewheel core3High-pressure synthesis and crystal structure of non-centrosymmetric K 2 Ca 3 (CO 3 ) 410Primary inclusions of burbankite in carbonatites from the Fen complex, southern Norway33Second-order nonlinear optical property of the ultraviolet transparent alkali metal-rare earth metal carbonate Na3Y(CO3)3.3H2O5Structure-performance relationship in tri-coordinated nonlinear optical materials toward optimal second harmonic generation and phase matching31High efficiently color-tunable emission in KTb(CO3)2:Eu3+ phosphors5Recent advances in nonlinear optical rare earth structures63A General Principle for DUV NLO Materials: π‐Conjugated Confinement Enlarges Band Gap**175A General Principle for DUV NLO Materials: π‐Conjugated Confinement Enlarges Band Gap**27An Overview on Recent Trends in Deep‐Ultraviolet (DUV) and Ultraviolet (UV) Nonlinear Optical Crystals25CRYSTAL CHEMISTRY OF NOVEL “ANTIZEOLITE” STRUCTURES14A comparison of the structural chemistry of scandium, yttrium, lanthanum and lutetium: A contribution to the group 3 debate35M(NH2SO3)2·xH2O (M = Ca, Pb, x = 0, 1, 4): Effect of Hydrogen Bonding on Structural Transformations and Second Harmonic Generation of Metal Sulfamates26Modulating optical performance by phase transition in a nonlinear optical material β-Li 2 RbBi(PO 4 ) 28Enlargement of Bandgap and Birefringence in Nonlinear Optical Alkali‐Metal Sulfate Crystals by the Substitution of Asymmetrical Non‐π‐Conjugated Cation8Soaking the Rare-Earth Carbonates for a Change: An Alternative Approach to Explore Carbonate Nonlinear Optical Crystals2Recent advances and future perspectives on rare-earth-based nonlinear optical materials with π-conjugated [XO3] (X = B, C, N) units66Cs2Pb(CO3)2: a novel mixed-metal carbonate with rare Pb-C-O one-dimensional chain0Polar-Layer-Driven Reconstruction of a Noncentrosymmetric Vandate Mid-Infrared Nonlinear-Optical Crystal10Fluorescence Lifetime as a Ruler: Quantifying Sm3+ Doping Levels in Na4La2 (CO3)5 Crystals via Time-Resolved Luminescence Decay1REXCO3 (RE = La, Ce, Y; X = OH, F) with circular alignment of anionic motifs induced extraordinary nonlinear optical effects0CO2 mass transfer optimization for enhanced photocatalytic CO2 reduction via a surface CO32− layer reconstruction2An Integrated Machine Learning Workflow Based on Deep Generative Models for Discovery of Inorganic Nonlinear Optical Crystals0

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  1. ChemInform Abstract: Na4La2(CO3)5 and CsNa5Ca5(CO3)8: Two New Carbonates as UV Nonlinear Optical Materials.

    ChemInform · 2014-09-18

    Min Luo, Genxiang Wang, Chensheng Lin, Ning Ye, Yuqiao Zhou, Wendan Cheng

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  2. Development of nonlinear optical materials promoted by density functional theory simulations

    International Journal of Modern Physics B · 2014-10-30

    Xingxing Jiang, Lei Kang, Siyang Luo, Pifu Gong, Ming‐Hsien Lee, Zheshuai Lin

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  3. Synthesis, Crystal Structure, and Optical Properties of a New Sodium‐Cadmium Carbonate Na4Cd3(CO3)4(OH)2

    Zeitschrift für anorganische und allgemeine Chemie · 2014-11-10

    Jie Chen, Min Luo, Ning Ye

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  4. Lanthanum Lead Oxide Hydroxide Nitrates with a Nonlinear Optical Effect

    Inorganic Chemistry · 2014-11-11

    Genxiang Wang, Min Luo, Chensheng Lin, Ning Ye, Yuqiao Zhou, Wendan Cheng

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  5. Sr 2 (OH) 3 NO 3 : the first nitrate as a deep UV nonlinear optical material with large SHG responses

    Journal of Materials Chemistry C · 2015-01-01

    Ling Huang, Guohong Zou, Huaqiang Cai, Shichao Wang, Chensheng Lin, Ning Ye

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  6. Synthesis, characterization and theoretical studies of nonlinear optical crystal Sr 2 B 5 O 9 (OH)·H 2 O

    Physical Chemistry Chemical Physics · 2015-01-01

    Fangyuan Zhang, Fangyuan Zhang, Fangfang Zhang, Fangfang Zhang, Qun Jing, Shilie Pan, Zhihua Yang, Dianzeng Jia

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  7. Hydrothermal synthesis and photoluminescence properties of Eu3+ doped Na4La2(CO3)5 rod-like nanophosphors

    Physica B Condensed Matter · 2015-05-16

    Xipeng Pu, Dafeng Zhang, Huaiyong Li, Sun Il Kim, Peiqing Cai, Cuili Chen, Hyo Jin Seo

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  8. Na4La2−2xTb2x(CO3)5 nanophosphors: Hydrothermal synthesis and photoluminescence properties

    Journal of Luminescence · 2015-08-21

    Dafeng Zhang, Xipeng Pu, Sun Il Kim, Peiqing Cai, Cuili Chen, Hyo Jin Seo

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  9. Structural Modulation of Anionic Group Architectures by Cations to Optimize SHG Effects: A Facile Route to New NLO Materials in the ATCO3F (A = K, Rb; T = Zn, Cd) Series

    Chemistry of Materials · 2015-10-15

    Guangsai Yang, Guang Peng, Ning Ye, Jiyang wang, Min Luo, Tao Yan, Yuqiao Zhou

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  10. A new acentric borate of K2Ba[B4O5(OH)4]2·10H2O: synthesis, structure and nonlinear optical property

    Phase Transitions · 2015-12-24

    Feng Lin, Yaping Dong, Jiaoyu Peng, Liping Wang, Wu Li, Yang Bo

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  11. Alkali metal–alkaline earth metal borate crystal LiBa 3 (OH)(B 9 O 16 )[B(OH) 4 ] as a new deep-UV nonlinear optical material

    Journal of Materials Chemistry C · 2016-01-01

    Chao Wu, Jun‐Ling Song, Longhua Li, Mark Graeme Humphrey, Chi Zhang

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  12. Connecting effect on the first hyperpolarizability of armchair carbon–boron–nitride heteronanotubes: pattern versus proportion

    Physical Chemistry Chemical Physics · 2016-01-01

    Rong‐Lin Zhong, Hong‐Liang Xu, Zhong‐Min Su

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  13. Hierarchized band gap and enhanced optical responses of trivalent rare-earth metal nitrates due to (d–p)π conjugation interactions

    Journal of Materials Chemistry C · 2016-01-01

    Bing‐Hua Lei, Qingrong Kong, Zhihua Yang, Yun Mo Yang, Ying Wang, Shilie Pan

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  14. Structure modulation, band structure, density of states and luminescent properties of columbite-type ZnNb 2 O 6

    CrystEngComm · 2016-01-01

    Dan Zhao, Fa‐Xue Ma, Ruijuan Zhang, Feifei Li, Lei Zhang, Juan Yang, Yun-Chang Fan, Xia Xin

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  15. Design and Syntheses of Three Novel Carbonate Halides: Cs 3 Pb 2 (CO 3 ) 3 I, KBa 2 (CO 3 ) 2 F, and RbBa 2 (CO 3 ) 2 F

    Chemistry - A European Journal · 2016-01-28

    Lili Liu, Yun Mo Yang, Xiaoyu Dong, Bingbing Zhang, Ying Wang, Zhihua Yang, Shilie Pan

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  16. Molecular Engineering as an Approach To Design a New Beryllium-Free Fluoride Carbonate as a Deep-Ultraviolet Nonlinear Optical Material

    Chemistry of Materials · 2016-03-23

    Min Luo, Yunxia Song, Chensheng Lin, Ning Ye, Wendan Cheng, Xifa Long

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  17. Rb2Na(NO3)3: A Congruently Melting UV-NLO Crystal with a Very Strong Second-Harmonic Generation Response

    Crystals · 2016-04-13

    Guohong Zou, Chensheng Lin, H.-S. Kim, Hongil Jo, Kang Min Ok

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  18. 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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  19. 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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  20. A Polar Titanium–Organic Chain with a Very Large Second-Harmonic-Generation Response

    Inorganic Chemistry · 2016-11-10

    Bongsu Kim, Seung‐Jin Oh, Hongil Jo, Kang Min Ok

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  21. Toward the Rational Design of Novel Noncentrosymmetric Materials: Factors Influencing the Framework Structures

    Accounts of Chemical Research · 2016-11-14

    Kang Min Ok

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  22. Synthesis, Crystal Structure, and Nonlinear Optical Properties of a New Alkali and Alkaline Earth Metal Carbonate RbNa5Ca5(CO3)8

    Crystals · 2016-12-31

    Qiaoling Chen, Min Luo

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  23. Explorations of new UV nonlinear optical materials in the Na 2 CO 3 –CaCO 3 system

    Journal of Materials Chemistry C · 2017-01-01

    Yunxia Song, Min Luo, Dan Zhao, Guang Peng, Chensheng Lin, Ning Ye

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  24. Noncentrosymmetric (NCS) solid solutions: elucidating the structure–nonlinear optical (NLO) property relationship and beyond

    Dalton Transactions · 2017-01-01

    Hongil Jo, Seung‐Jin Oh, Kang Min Ok

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  25. Role of spin–orbit interaction on the nonlinear optical response of CsPbCO 3 F using DFT

    Physical Chemistry Chemical Physics · 2017-01-01

    E. Narsimha Rao, G. Vaitheeswaran, A.H. Reshak, S. Auluck

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  26. Solvent-controlled syntheses of mixed-alkali-metal borates exhibiting UV nonlinear optical properties

    Inorganic Chemistry Frontiers · 2017-01-01

    Chao Wu, Longhua Li, Jun‐Ling Song, Gang Yang, Mark Graeme Humphrey, Chi Zhang

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  27. Structural Modulation of Nitrate Group with Cations to Affect SHG Responses in RE(OH)2NO3 (RE = La, Y, and Gd): New Polar Materials with Large NLO Effect after Adjusting pH Values of Reaction Systems

    Chemistry of Materials · 2017-01-04

    Yunxia Song, Min Luo, Chensheng Lin, Ning Ye

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  28. Design and Synthesis of a Series of Novel Mixed Borate and Carbonate Halides

    Chemistry - A European Journal · 2017-06-02

    Lili Liu, Yun Mo Yang, Junben Huang, Xiaoyu Dong, Zhihua Yang, Shilie Pan

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  29. Noncentrosymmetric Na2Ca4(CO3)5 Carbonate of “M13M23XY3Z” Structural Type and Affinity between Borate and Carbonate Structures for Design of New Optical Materials

    Crystal Growth & Design · 2017-10-11

    Sergey V. Rashchenko, V. V. Bakakin, Anton F. Shatskiy, Pavel N. Gavryushkin, Yurii V. Seryotkin, Konstantin D. Litasov

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  30. Na 4 Ca(CO 3 ) 3 : a novel carbonate analog of borate optical materials

    CrystEngComm · 2018-01-01

    Sergey V. Rashchenko, Anton F. Shatskiy, Anton V. Arefiev, Yurii V. Seryotkin, Konstantin D. Litasov

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  31. A Joint Strategy To Evaluate the Microscopic Origin of the Second-Harmonic-Generation Response in Nonpolar ABCO3F Compounds

    Inorganic Chemistry · 2018-01-17

    Qun Jing, Guang Yang, Zhaohui Chen, Xiaoyu Dong, Yunjing Shi

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  32. Recent advances in ultraviolet and deep-ultraviolet second-order nonlinear optical crystals

    Coordination Chemistry Reviews · 2018-03-15

    Chao Wu, Gang Yang, Mark Graeme Humphrey, Chi Zhang

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  33. 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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  34. Syntheses, Crystal Structures and Properties of Two Novel Mixed Anion Hybrids with Formulas of Pb 6 O 2 (BO 3 ) 2 (C 2 O 4 ) and Pb 4 (CO 3 ) 2 (C 2 O 4 )(OH) 2

    ChemistrySelect · 2018-05-22

    Hui Yang, Fei‐Fei Mao, Cuixia Xu

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  35. Y2(CO3)3·H2O and (NH4)2Ca2Y4(CO3)9·H2O: Partial Aliovalent Cation Substitution Enabling Evolution from Centrosymmetry to Noncentrosymmetry for Nonlinear Optical Response

    Chemistry of Materials · 2018-12-12

    Guang Peng, Chensheng Lin, Yi Jin Yang, Dan Zhao, Zheshuai Lin, Ning Ye, Jin‐Shun Huang

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  36. Y 8 O(OH) 15 (CO 3 ) 3 Cl: an excellent short-wave UV nonlinear optical material exhibiting an infrequent three-dimensional inorganic cationic framework

    Chemical Communications · 2019-01-01

    Yiting Zhang, Ying Long, Xuehua Dong, Lei Wang, Ling Huang, Hongmei Zeng, Zhien Lin, Xin Wang, Guohong Zou

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

    Chemistry of Materials · 2019-03-12

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

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  38. 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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  39. 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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  40. From centrosymmetric to noncentrosymmetric: intriguing structure evolution in d 10 -transition metal iodate fluorides

    Chemical Communications · 2020-01-01

    Liling Cao, Min Luo, Chensheng Lin, Yuqiao Zhou, Dan Zhao, Tao Yan, Ning Ye

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  41. Structure-property relationship in nonlinear optical materials with π-conjugated CO3 triangles

    Coordination Chemistry Reviews · 2020-01-10

    Youchao Liu, Yaoguo Shen, Sangen Zhao, Junhua Luo

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  42. Ba3(BO3)(CO3)F: The First Borate Carbonate Fluoride Synthesized by the High‐Temperature Solution Method

    Chemistry - A European Journal · 2020-09-25

    Chunmei Huang, Fangfang Zhang, Shichao Cheng, Zhihua Yang, Hao Li, Shilie Pan

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  43. Chromous carbonates containing a square-grid layer of {Cr 2 (CO 3 ) 4 } n 4n− based on a dichromium( ii , ii ) paddlewheel core

    Dalton Transactions · 2021-01-01

    Zhi-Qiang Dong, Jianhui Yang, Bin Liu

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  44. High-pressure synthesis and crystal structure of non-centrosymmetric K 2 Ca 3 (CO 3 ) 4

    CrystEngComm · 2021-01-01

    Sergey V. Rashchenko, Anton F. Shatskiy, Mark A. Ignatov, Anton V. Arefiev, Konstantin D. Litasov

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  45. Primary inclusions of burbankite in carbonatites from the Fen complex, southern Norway

    Mineralogy and Petrology · 2021-01-28

    Anton R. Chakhmouradian, Sven Dahlgren

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  46. Second-order nonlinear optical property of the ultraviolet transparent alkali metal-rare earth metal carbonate Na3Y(CO3)3.3H2O

    Journal of Solid State Chemistry · 2021-02-28

    Chao Wu, Lin Lin, Tianhui Wu, Zhipeng Huang, Chi Zhang

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  47. Structure-performance relationship in tri-coordinated nonlinear optical materials toward optimal second harmonic generation and phase matching

    Coordination Chemistry Reviews · 2021-06-08

    Fengjuan Hou, Dajiang Mei, Mingjun Xia, Yuandong Wu

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  48. High efficiently color-tunable emission in KTb(CO3)2:Eu3+ phosphors

    Optical Materials · 2021-06-25

    Dechuan Li, Gungping Zhu, Xuelian Zhao

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  49. Recent advances in nonlinear optical rare earth structures

    Journal of Rare Earths · 2021-07-15

    Jun Zhao, Dajiang Mei, Weikang Wang, Yuandong Wu, Dongfeng Xue

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  50. A General Principle for DUV NLO Materials: π‐Conjugated Confinement Enlarges Band Gap**

    Angewandte Chemie International Edition · 2021-09-16

    Lin Xiong, Li‐Ming Wu, Ling Chen

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