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RESEARCH PAPER · Scientific Reports · 2019

First-principles investigation of the ferroelectric, piezoelectric and nonlinear optical properties of LiNbO3-type ZnTiO3

Jing Zhang, Bin Xu, Yusheng Wang, Zhen Qin, San-Huang Ke

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First-principles investigation of the ferroelectric, piezoelectric and nonlinear optical properties of LiNbO3-type ZnTiO3OriginalSpace charge induced augmented dielectric permittivity and improved energy harvesting ability of nano-Ag decorated ZnSnO3 filled PVDF based flexible nanogenerator55Enhancing the visible light induced photocatalytic activity in sol-electrospun zinc titanate nanopowders by nitrogen doping31Enhanced Sunlight-Driven Reactive Species Generation via Polarization Field in Nanopiezoelectric Heterostructures16DFT Study of Methylene Blue Adsorption on ZnTiO3 and TiO2 Surfaces (101)65Theoretical study on the ferroelectric and light absorption properties of Li 2 SbBiO 6 for harvesting visible light5Cu(C3H3N3S3)3 Adsorption onto ZnTiO3/TiO2 for Coordination-Complex Sensitized Photochemical Applications12Coexisting ferroelectricity and photoconductivity in doped LN-type ZnSnO3 nanospikes9The Effect of La3+ on the Methylene Blue Dye Removal Capacity of the La/ZnTiO3 Photocatalyst, a DFT Study20La3+’s Effect on the Surface (101) of Anatase for Methylene Blue Dye Removal, a DFT Study14First principle studies of TiO2-ZnO alloys under high pressure2Investigations of the structural, magnetic, mechanical, electronic and ferroelectric properties of Mn2MnWO6 double corundum oxide8Comparative Study of the Effect of Doping ZnTiO3 with Rare Earths (La and Ce) on the Adsorption and Photodegradation of Cyanide in Aqueous Systems13Emerging ferroelectricity and piezoelectric energy harvesting properties in lead-free zinc titanate nanocrystals23Design and Performance Analysis of Perovskites Unidimensional Photonic Crystal-Based Biosensors for Extracellular Vesicles Detection: A Numerical Investigation1Advantages and developments of Raman spectroscopy for electroceramics70Tracking Coordination Environment and Reaction Intermediates in Homo- and Heterogeneous Epoxidation Catalysts via Ti L2,3-edge NEXAFS2Cyanide Removal by ZnTiO3/TiO2/H2O2/UVB System: A Theoretical-Experimental Approach10LiNbO3-based memristors for neuromorphic computing applications: a review8Enhancing Methylene Blue Removal through Adsorption and Photocatalysis—A Study on the GO/ZnTiO3/TiO2 Composite51Zn-based oxide perovskite nanocomposites for energy and sensing applications10Comprehensive investigation of structural, magnetic, electronic, optical, mechanical, and piezoelectric properties of ATiO 3 (A = Mn, Fe, Ni) compounds for sustainable energy materials6Materials and underlying principles in vat photopolymerization-based additive manufacturing of electronic ceramics16High-entropy ilmenite titanate (Mg,Co,Ni,Zn)TiO3: Synthesis, crystal and band structure, and enhanced properties5The effect of Mg-doping on the structural and electronic properties of ZnTiO 3 : a first-principles study and compared with experimental band gap of ZnTiO 32Multifunctional properties of Mn-Fe-Ni A-Site alloyed titanate perovskites for energy-harvesting applications: a first-principles study0First-principles study of XGeO3 (X = Zn, Cd): Semiconducting perovskites for optoelectronic and thermoelectric applications1The effect of transition metal oxides on the performance of triboelectric nanogenerators0An Effective Cation–Anion Codoping Strategy for Superior Stability and High-Performance of Na4Fe0.5Mn0.5V(PO4)3 Cathode0

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  1. Space charge induced augmented dielectric permittivity and improved energy harvesting ability of nano-Ag decorated ZnSnO3 filled PVDF based flexible nanogenerator

    Composites Science and Technology · 2021-06-09

    Abhishek Sasmal, Aniket Patra, Parukuttyamma Sujatha Devi, Shrabanee Sen

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  2. Enhancing the visible light induced photocatalytic activity in sol-electrospun zinc titanate nanopowders by nitrogen doping

    Journal of Physics and Chemistry of Solids · 2021-06-13

    Somendra Singh, Shama Perween, Amit Ranjan

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  3. Enhanced Sunlight-Driven Reactive Species Generation via Polarization Field in Nanopiezoelectric Heterostructures

    ACS Applied Materials & Interfaces · 2021-06-21

    Xiaofeng Zhou, Fei Yan, Bo Shen, Jiwei Zhai, Niklas Hedin

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  4. DFT Study of Methylene Blue Adsorption on ZnTiO3 and TiO2 Surfaces (101)

    Molecules · 2021-06-22

    Ximena Jaramillo-Fierro, Luís Fernando, F. Medina, Silvia Beatriz González

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  5. Theoretical study on the ferroelectric and light absorption properties of Li 2 SbBiO 6 for harvesting visible light

    RSC Advances · 2022-01-01

    Xing-Yuan Chen, Shi-Wu Ling, Huakai Xu, You-Da Che, Lifang Chen, Xiang-Fu Xu, Jia-Jun Tang, Jiahui Ye, Hong Ji, Danlin Yan

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  6. Cu(C3H3N3S3)3 Adsorption onto ZnTiO3/TiO2 for Coordination-Complex Sensitized Photochemical Applications

    Materials · 2022-04-30

    Ximena Jaramillo-Fierro, Karol Hernández, Silvia Beatriz González

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  7. Coexisting ferroelectricity and photoconductivity in doped LN-type ZnSnO3 nanospikes

    Materials Chemistry and Physics · 2022-07-12

    Shubhankar Barman, Anuja Datta

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  8. The Effect of La3+ on the Methylene Blue Dye Removal Capacity of the La/ZnTiO3 Photocatalyst, a DFT Study

    Nanomaterials · 2022-09-10

    Ximena Jaramillo-Fierro, Guisella Cuenca, John Ramón

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  9. La3+’s Effect on the Surface (101) of Anatase for Methylene Blue Dye Removal, a DFT Study

    Molecules · 2022-09-27

    Ximena Jaramillo-Fierro, Sneyder Gaona, Eduardo Valarezo

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  10. First principle studies of TiO2-ZnO alloys under high pressure

    Journal of Physics Condensed Matter · 2022-11-02

    Mengxin Yang, Yanling Zhang, Min Liang, Yuanming Sun, Defang Duan, Fubo Tian

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  11. Investigations of the structural, magnetic, mechanical, electronic and ferroelectric properties of Mn2MnWO6 double corundum oxide

    Materials Chemistry and Physics · 2022-12-18

    Akbar Ali, H. Elhosiny Ali, Imad Khan

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  12. Comparative Study of the Effect of Doping ZnTiO3 with Rare Earths (La and Ce) on the Adsorption and Photodegradation of Cyanide in Aqueous Systems

    International Journal of Molecular Sciences · 2023-02-14

    Ximena Jaramillo-Fierro, Guisella Cuenca, John Ramón

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  13. Emerging ferroelectricity and piezoelectric energy harvesting properties in lead-free zinc titanate nanocrystals

    Journal of Materials Science · 2023-04-01

    Shubhankar Barman, Swadesh Paul, Priya Ranjan, Surajit Das, Anuja Datta

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  14. Design and Performance Analysis of Perovskites Unidimensional Photonic Crystal-Based Biosensors for Extracellular Vesicles Detection: A Numerical Investigation

    Crystals · 2023-06-12

    Abdelkader Abderrahmane, Khaled Senouci, Belkacem Hachemi, Pil Ju Ko

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  15. Advantages and developments of Raman spectroscopy for electroceramics

    Communications Materials · 2023-10-09

    Marco Deluca, Hailong Hu, Maxim N. Popov, Jürgen Spitaler, Thomas Dieing

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  16. Tracking Coordination Environment and Reaction Intermediates in Homo- and Heterogeneous Epoxidation Catalysts via Ti L2,3-edge NEXAFS

    ChemRxiv · 2023-11-14

    Lukas Lätsch, Sergey Alexandrovich Guda, Vladyslav Romankov, Christina Wartmann, Jörg‐M. Neudörfl, Jan Dreiser, Albrecht Berkessel, Alexander Alexandrovich Guda, Christophe Copéret

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  17. Cyanide Removal by ZnTiO3/TiO2/H2O2/UVB System: A Theoretical-Experimental Approach

    International Journal of Molecular Sciences · 2023-11-17

    Ximena Jaramillo-Fierro, John Ramón, Eduardo Valarezo

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  18. LiNbO3-based memristors for neuromorphic computing applications: a review

    Frontiers in Electronic Materials · 2024-03-11

    Caxton Griffith Kibebe, Yue Liu

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  19. Enhancing Methylene Blue Removal through Adsorption and Photocatalysis—A Study on the GO/ZnTiO3/TiO2 Composite

    International Journal of Molecular Sciences · 2024-04-15

    Ximena Jaramillo-Fierro, Guisella Cuenca

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  20. Zn-based oxide perovskite nanocomposites for energy and sensing applications

    Journal of Materials Science · 2024-05-26

    Swadesh Paul, Shubhankar Barman, Anuja Datta

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  21. Comprehensive investigation of structural, magnetic, electronic, optical, mechanical, and piezoelectric properties of ATiO 3 (A = Mn, Fe, Ni) compounds for sustainable energy materials

    Journal of Physics Condensed Matter · 2024-08-21

    Lalhumhima, Bernard Lalroliana, Lalmuanchhana, Renthlei Zosiamliana, P. Raics, Ramesh Chandra Tiwari, Lalhriat Zuala

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  22. Materials and underlying principles in vat photopolymerization-based additive manufacturing of electronic ceramics

    Progress in Materials Science · 2025-04-25

    Weizhe Tang, Guo Liang Goh, Jia Min Lee, Yumeng Tang, Chengli Sun, Rui Feng Dou, Li Wang, Wai Yee Yeong, Xiaosheng Zhang, Yi Zhang

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  23. High-entropy ilmenite titanate (Mg,Co,Ni,Zn)TiO3: Synthesis, crystal and band structure, and enhanced properties

    Journal of the European Ceramic Society · 2025-10-04

    Jinyu Wu, Zhongyan Wang, Kelan Zhang, Ze Wei Wu, Lingyi Meng, Heng Chen, Xiaoxia Hu, Xiaohui Ma, Anran Guo

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  24. The effect of Mg-doping on the structural and electronic properties of ZnTiO 3 : a first-principles study and compared with experimental band gap of ZnTiO 3

    Materials Research Express · 2025-11-25

    Sujeet Kumar Pandey

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  25. Multifunctional properties of Mn-Fe-Ni A-Site alloyed titanate perovskites for energy-harvesting applications: a first-principles study

    Physica Scripta · 2026-04-29

    Lalhum Hima, Bernard Lalroliana, Angela Chinggelkim, Laltha Kimi, Renthlei Zosiamliana, Lalengmawia Celestine, Lalmuanpuia Vanchhawng, D. P. Rai, Ramesh Chandra Tiwari, Lalhriat Zuala

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  26. First-principles study of XGeO3 (X = Zn, Cd): Semiconducting perovskites for optoelectronic and thermoelectric applications

    Semiconductor Physics Quantum Electronics & Optoelectronics · 2026-06-22

    A.U. Haq, Muhammad Naeem Tabassam, N. Ahmed, A. Shahzad, Junle Qu, Sergii Golovynskyi

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  27. The effect of transition metal oxides on the performance of triboelectric nanogenerators

    Communications Materials · 2026-09-12

    Md Arafat Hossain, Abdullah Mohammad Sarjish, Md. Wasikur Rahman, Victoria Padilla, Mohammed Jasim Uddin

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  28. An Effective Cation–Anion Codoping Strategy for Superior Stability and High-Performance of Na4Fe0.5Mn0.5V(PO4)3 Cathode

    ACS Applied Materials & Interfaces · 2026-09-24

    Zhuohui Sun, Hongwei Zhang, Yilong Jia, Li Cao, Yi Xu

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