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RESEARCH PAPER · Journal of Alloys and Compounds · 2013

Ab initio study of elasticity, piezoelectricity, and nonlinear optical performance in monoclinic NaAsSe2

Zuju Ma, Kechen Wu, Rongjian Sa, Qiaohong Li, Yongfan Zhang

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Ab initio study of elasticity, piezoelectricity, and nonlinear optical performance in monoclinic NaAsSe2OriginalComputational design of inorganic nonlinear optical crystals based on a genetic algorithm93First-principles study on piezoelectric and electro-optical properties of ZnX (X=O, S, Se, Te)8Strong SHG responses predicted in binary metal halide crystal HgI215Ba 4 AgGa 5 Pn 8 (Pn = P, As): new pnictide-based compounds with nonlinear optical potential30Self-assembly of cuprous oxide nanoparticles supported on reduced graphene oxide and their enhanced performance for catalytic reduction of nitrophenols40Structure, elastic and piezoelectric properties of A 3 BO 7 (A = Ga, Al; B = P, As) compounds: A DFT study12Second-order nonlinear optical properties of bulk GeC polytypes, g-GeC and corresponding nanotubes: first-principles calculations23Layer-independent and layer-dependent nonlinear optical properties of two-dimensional GaX (X = S, Se, Te) nanosheets59Peculiar electronic, strong in-plane and out-of-plane second harmonic generation and piezoelectric properties of atom-thick α-M 2 X 3 (M = Ga, In; X = S, Se): role of spontaneous electric dipole orientations87Screening novel candidates for mid-IR nonlinear optical materials from I 3 –V–VI 4 compounds51Theoretical perspectives on the structure, electronic, and optical properties of titanosilicates Li 2 M 4 [(TiO)Si 4 O 12 ] (M = K + , Rb + )13Discovery-Synthesis, Design, and Prediction of Chalcogenide Phases208Mid-Infrared Nonlinear Optical Materials Based on Metal Chalcogenides: Structure–Property Relationship338Physical characteristics of PbO−ZrO2−SiO2:TiO2 glass ceramics embedded with Pb2Ti2O6 cubic pyrochlore crystal phase: Part-II piezo-optical acoustic and elastic properties17Second harmonic generation property of monolayer TMDCs and its potential application in producing terahertz radiation30Experimental study on nonlinear−optical property of Ag4P2Se66Ab Initio High-Pressure Study of Semiconductor-Metal Phase Transition of the Chalcogenide Compound KPSe62Zn(NH 3 )CO 3 : a “three-in-one” UV nonlinear optical crystal built by a polar molecule bonding strategy18Two Lead Halides with Strong SHG Response Obtained by the Isovalent Substitutions of Alkali Metal Cation and Halogen Anion22Ab initio study of the structural, electronic, mechanical, dynamical, thermodynamic, linear and nonlinear optical properties of BeSiP2xAs2(1−x) quaternary alloys2Titanium Iodates with a Second-Harmonic-Generation Response8A Potassium Tungsten Oxyfluoride with Strong Second-Harmonic Generation Response Derived from Anion-Ordered Functional Motif18Piezo-Phototronic Enhancement of Vertical Structure Photodetectors Based on 2D CsPbBr3 Nanosheets1Nonlinear optical crystals KPb3(3-C5H4NCOO)2Br5 and KPb3(3-C5H4NCOO)2Cl3Br2 with new Pb-centered nitrogen-halide polyhedrons obtained by the halide anionic substitution4Theoretical Investigation of Structural, Electronic and Optical Properties of Cs3MoO4(HCO3) with NLO Active Functional Units2Theoretical insight on structure, electronic, and optical properties of two d 0–d 10 electron transition-metal oxyhalides SHG materials2

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26 direct citing papers saved.

  1. Computational design of inorganic nonlinear optical crystals based on a genetic algorithm

    CrystEngComm · 2014-01-01

    Zhenxing Fang, Jing Chie Lin, Rong Liu, Ping Liu, Yi Li, Xin Huang, Kaining Ding, Lixin Ning, Yongfan Zhang

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  2. First-principles study on piezoelectric and electro-optical properties of ZnX (X=O, S, Se, Te)

    Computational Materials Science · 2014-03-19

    Lei Hu, Chensheng Lin, Yi Jin Yang, Jinfeng Chen, Wen‐Dan Cheng

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  3. Strong SHG responses predicted in binary metal halide crystal HgI2

    Chemical Physics Letters · 2014-06-13

    Xuemei Shi, Zuju Ma, Chao He, Kechen Wu

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  4. Ba 4 AgGa 5 Pn 8 (Pn = P, As): new pnictide-based compounds with nonlinear optical potential

    Journal of Materials Chemistry C · 2015-01-01

    Mingyan Pan, Zuju Ma, Xiao‐Cun Liu, Sheng‐Qing Xia, Xu-tang Tao, Kechen Wu

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  5. Self-assembly of cuprous oxide nanoparticles supported on reduced graphene oxide and their enhanced performance for catalytic reduction of nitrophenols

    RSC Advances · 2015-01-01

    Chengke Wu, Xiaoyu An, Shuyan Gao, Su Li

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  6. Structure, elastic and piezoelectric properties of A 3 BO 7 (A = Ga, Al; B = P, As) compounds: A DFT study

    Computational Materials Science · 2015-05-14

    Jing Ren, Zuju Ma, Chao He, Rongjian Sa, Qiaohong Li, Kechen Wu

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  7. Second-order nonlinear optical properties of bulk GeC polytypes, g-GeC and corresponding nanotubes: first-principles calculations

    Physical Chemistry Chemical Physics · 2016-12-14

    Lei Hu, Dongshan Wei

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  8. Layer-independent and layer-dependent nonlinear optical properties of two-dimensional GaX (X = S, Se, Te) nanosheets

    Physical Chemistry Chemical Physics · 2017-01-01

    Lei Hu, Xuri Huang, Dongshan Wei

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  9. Peculiar electronic, strong in-plane and out-of-plane second harmonic generation and piezoelectric properties of atom-thick α-M 2 X 3 (M = Ga, In; X = S, Se): role of spontaneous electric dipole orientations

    RSC Advances · 2017-01-01

    Lei Hu, Xuri Huang

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  10. Screening novel candidates for mid-IR nonlinear optical materials from I 3 –V–VI 4 compounds

    Journal of Materials Chemistry C · 2017-01-01

    Zuju Ma, Jinyu Hu, Rongjian Sa, Qiaohong Li, Yongfan Zhang, Kechen Wu

    Read original paper ↗ ·

  11. Theoretical perspectives on the structure, electronic, and optical properties of titanosilicates Li 2 M 4 [(TiO)Si 4 O 12 ] (M = K + , Rb + )

    Physical Chemistry Chemical Physics · 2017-01-01

    Jinyu Hu, Zuju Ma, Rongjian Sa, Yongfan Zhang, Kechen Wu

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  12. Discovery-Synthesis, Design, and Prediction of Chalcogenide Phases

    Inorganic Chemistry · 2017-03-09

    Mercouri G. Kanatzidis

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  13. Mid-Infrared Nonlinear Optical Materials Based on Metal Chalcogenides: Structure–Property Relationship

    Crystal Growth & Design · 2017-03-15

    Fei Liang, Lei Kang, Zheshuai Lin, Yicheng Wu

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  14. Physical characteristics of PbO−ZrO2−SiO2:TiO2 glass ceramics embedded with Pb2Ti2O6 cubic pyrochlore crystal phase: Part-II piezo-optical acoustic and elastic properties

    Journal of Alloys and Compounds · 2017-07-17

    Addanki S Rao, Ivan V. Kityk, Jujjavarapu Ashok, V. Ravi Kumar, Kazimierz J. Plucinski, Annapureddy Siva Sesha Reddy, K. N. Chaithanya Kumar, N. Veeraiah

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  15. Second harmonic generation property of monolayer TMDCs and its potential application in producing terahertz radiation

    The Journal of Chemical Physics · 2017-12-26

    Lei Hu, Dongshan Wei, Xuri Huang

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  16. Experimental study on nonlinear−optical property of Ag4P2Se6

    Journal of Alloys and Compounds · 2018-12-03

    Houping Xia, Qian Ma

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  17. Ab Initio High-Pressure Study of Semiconductor-Metal Phase Transition of the Chalcogenide Compound KPSe6

    Advances in Condensed Matter Physics · 2020-05-01

    P. O. Jomo, Calford Odhiambo Otieno, Philip Nyawere

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  18. 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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  19. Two Lead Halides with Strong SHG Response Obtained by the Isovalent Substitutions of Alkali Metal Cation and Halogen Anion

    Inorganic Chemistry · 2021-03-17

    Qirui Shui, Ruibiao Fu, Hong‐Xin Tang, Yuan‐Bin Fang, Zuju Ma, Xintao Wu

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  20. Ab initio study of the structural, electronic, mechanical, dynamical, thermodynamic, linear and nonlinear optical properties of BeSiP2xAs2(1−x) quaternary alloys

    Journal of Physics and Chemistry of Solids · 2021-03-29

    Y. Asadi, Zahra Nourbakhsh

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  21. Titanium Iodates with a Second-Harmonic-Generation Response

    Inorganic Chemistry · 2021-03-29

    Yuan‐Bin Fang, Ruibiao Fu, Hong‐Xin Tang, Qirui Shui, Zuju Ma, Xintao Wu

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  22. A Potassium Tungsten Oxyfluoride with Strong Second-Harmonic Generation Response Derived from Anion-Ordered Functional Motif

    Inorganic Chemistry · 2021-10-28

    Hong‐Xin Tang, Ruibiao Fu, Zuju Ma, Xintao Wu

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  23. Piezo-Phototronic Enhancement of Vertical Structure Photodetectors Based on 2D CsPbBr3 Nanosheets

    Journal of Nanoelectronics and Optoelectronics · 2022-05-01

    Yaocheng Wei, Xuejun Zheng, Liang Chu, Hui Dong

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  24. Nonlinear optical crystals KPb3(3-C5H4NCOO)2Br5 and KPb3(3-C5H4NCOO)2Cl3Br2 with new Pb-centered nitrogen-halide polyhedrons obtained by the halide anionic substitution

    Journal of Alloys and Compounds · 2023-04-05

    Wen-Xiu Bao, Ziqi Zhou, Xiangyu Zhang, Ruibiao Fu, Hong‐Xin Tang, Zuju Ma, Xintao Wu

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  25. Theoretical Investigation of Structural, Electronic and Optical Properties of Cs3MoO4(HCO3) with NLO Active Functional Units

    European Journal of Inorganic Chemistry · 2024-03-06

    Jinyu Hu, Yinsheng Huang, Hui Zhu, Huiyan Zhao, Chao He, Xihu Wang

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  26. Theoretical insight on structure, electronic, and optical properties of two d 0–d 10 electron transition-metal oxyhalides SHG materials

    Journal of Physics D Applied Physics · 2024-06-12

    Jinyu Hu, Jiamei Zhang, Huiyan Zhao, Chao He, Xihu Wang

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