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RESEARCH PAPER · Physical Chemistry Chemical Physics · 2015

Evidence of “new hot spots” from determining the nonlinear optical behavior of materials: mechanistic studies of the vanadium borate crystal, Na 3 VO 2 B 6 O 11

Xin Su, Zhihua Yang, Ming‐Hsien Lee, Shilie Pan, Ying Wang, Xiaoyun Fan, Zhenjun Huang, Bingbing Zhang

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Evidence of “new hot spots” from determining the nonlinear optical behavior of materials: mechanistic studies of the vanadium borate crystal, Na 3 VO 2 B 6 O 11OriginalEffect of cation substitution on structural transition: synthesis, characterization and theoretical studies of NaCa 4 B 3 O 9 , NaCaBO 3 , NaSrBO 3 and Li 4 CaB 2 O 618Active performance of tetrahedral groups to SHG response: theoretical interpretations of Ge/Si-containing borate crystals3Role of the metal cation types around VO 4 groups on the nonlinear optical behavior of materials: experimental and theoretical analysis19NaBa4(GaB4O9)2X3 (X = Cl, Br) with NLO-Active GaO4 Tetrahedral Unit: Experimental and ab Initio Studies25New understandings of third harmonic generation coefficient of bulk silicon: Implementation and application of the full ab initio band structure sum-over-states method14Luminescence and color center distributions in K 3 YB 6 O 12 :Ce 3+ phosphor17Structural Insights into Borates with an Anion‐Templated Open‐Framework Configuration: Asymmetric K2BaB16O26 versus Centrosymmetric K3CsB20O32 and Na2M2NB18O30 (M=Rb, Cs; N=Ba, Pb)26A Series of Rare-Earth Borates K 7 MRE 2 B 15 O 30 (M = Zn, Cd, Pb; RE = Sc, Y, Gd, Lu) with Large Second Harmonic Generation Responses103Crystal structures and theoretical studies of polyphosphate LiZnP3O9 for nonlinear optical applications18Cation substitution inducing gap changes and covalent interaction flexibility enhancing second harmonic generation responses in d10 metal chalcogenides11Second-order nonlinear optical crystals with mixed anions250Large optical polarizability causing positive effects on the birefringence of planar-triangular BO 3 groups in ternary borates18Intense d ‑ p Hybridization Induced a Vast SHG Response Disparity between Tetrahedral Vanadates and Arsenates13Na 6 MQ 4 (M=Zn, Cd; Q=S, Se): Promising New Ternary Infrared Nonlinear Optical Materials24Opto-electronic, and thermoelectric properties of chalcopyrite compounds HgGa 2 X 4 (X = S, Se) for solar cell applications2Ab Initio Study on the Structural, Mechanical, Vibrational and Thermal Properties of Norbergite-Structured Vanadium Borate (V3BO6)0

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  1. Effect of cation substitution on structural transition: synthesis, characterization and theoretical studies of NaCa 4 B 3 O 9 , NaCaBO 3 , NaSrBO 3 and Li 4 CaB 2 O 6

    Physical Chemistry Chemical Physics · 2015-01-01

    Yun Mo Yang, Xin Su, Shilie Pan, Zhihua Yang

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  2. Active performance of tetrahedral groups to SHG response: theoretical interpretations of Ge/Si-containing borate crystals

    Physical Chemistry Chemical Physics · 2016-01-01

    Linping Li, Zhihua Yang, Bing‐Hua Lei, Qingrong Kong, Ming‐Hsien Lee, Bingbing Zhang, Shilie Pan, Jun Zhang

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  3. Role of the metal cation types around VO 4 groups on the nonlinear optical behavior of materials: experimental and theoretical analysis

    Dalton Transactions · 2016-01-01

    Xin Su, Zhihua Yang, Guopeng Han, Ying Wang, Ming Wen, Shilie Pan

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

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

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

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  5. New understandings of third harmonic generation coefficient of bulk silicon: Implementation and application of the full ab initio band structure sum-over-states method

    Computational Condensed Matter · 2016-07-18

    You‐Zhao Lan

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  6. Luminescence and color center distributions in K 3 YB 6 O 12 :Ce 3+ phosphor

    Journal of Physics D Applied Physics · 2016-07-21

    Yang Li, Yingpeng Wan, Honggen Weng, Yanlin Huang, Cuili Chen, Hyo Jin Seo

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  7. Structural Insights into Borates with an Anion‐Templated Open‐Framework Configuration: Asymmetric K2BaB16O26 versus Centrosymmetric K3CsB20O32 and Na2M2NB18O30 (M=Rb, Cs; N=Ba, Pb)

    Chemistry - A European Journal · 2017-07-21

    Miriding Mutailipu, Min Zhang, Xin Su, Zhihua Yang, Yanna Chen, Shilie Pan

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  8. A Series of Rare-Earth Borates K 7 MRE 2 B 15 O 30 (M = Zn, Cd, Pb; RE = Sc, Y, Gd, Lu) with Large Second Harmonic Generation Responses

    Chemistry of Materials · 2018-03-08

    Zhiqing Xie, Miriding Mutailipu, Guijie He, Guopeng Han, Ying Wang, Zhihua Yang, Min Zhang, Shilie Pan

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  9. Crystal structures and theoretical studies of polyphosphate LiZnP3O9 for nonlinear optical applications

    Journal of Solid State Chemistry · 2018-03-29

    Zhiqing Xie, Xin Su, Hanqin Ding, Hongyi Li

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  10. Cation substitution inducing gap changes and covalent interaction flexibility enhancing second harmonic generation responses in d10 metal chalcogenides

    Journal of Alloys and Compounds · 2018-07-30

    Jianian Cheng, Ming‐Hsien Lee, Jun Zhang

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  11. Second-order nonlinear optical crystals with mixed anions

    Coordination Chemistry Reviews · 2018-08-06

    Yu Pan, Sheng‐Ping Guo, Bin‐Wen Liu, Huaiguo Xue, Guo‐Cong Guo

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  12. Large optical polarizability causing positive effects on the birefringence of planar-triangular BO 3 groups in ternary borates

    Dalton Transactions · 2020-01-01

    Xinyuan Zhou, Junben Huang, Gemei Cai, Heng-Wei Zhou, Yineng Huang, Xin Su

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  13. Intense d ‑ p Hybridization Induced a Vast SHG Response Disparity between Tetrahedral Vanadates and Arsenates

    The Journal of Physical Chemistry C · 2020-10-28

    Xin Su, Yu Chu, Zhihua Yang, Bing‐Hua Lei, Chao Cao, Ying Wang, Qiong Liu, Shilie Pan

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  14. Na 6 MQ 4 (M=Zn, Cd; Q=S, Se): Promising New Ternary Infrared Nonlinear Optical Materials

    Chemistry - A European Journal · 2021-01-27

    Yi Huang, Le Gao, Haohai Yu, Zhihua Yang, Junjie Li, Shilie Pan

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  15. Opto-electronic, and thermoelectric properties of chalcopyrite compounds HgGa 2 X 4 (X = S, Se) for solar cell applications

    Physica Scripta · 2022-04-21

    Maiza Zanib, Nohseen Mushahid, Mazia Asghar, Mumtaz Manzoor, Muhammad Waqas Iqbal, Naveed Ahmad Noor, Alaa Dahshan

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  16. Ab Initio Study on the Structural, Mechanical, Vibrational and Thermal Properties of Norbergite-Structured Vanadium Borate (V3BO6)

    Crystals · 2026-05-13

    Sabit Korçak

    Read original paper ↗ ·
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