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RESEARCH PAPER · The Journal of Physical Chemistry A · 2008

In Situ Polymerization of the 4-Vinylbenzenesulfonic Anion in Ni−Al−Layered Double Hydroxide and Its Molecular Dynamic Simulation

Dongpeng Yan, Jun Guo Lu, Min Wei, Hui Li, Jing Ma, Feng Li, David G. Evans, Xue Duan

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In Situ Polymerization of the 4-Vinylbenzenesulfonic Anion in Ni−Al−Layered Double Hydroxide and Its Molecular Dynamic SimulationOriginalA combined study based on experiment and molecular dynamics: perylene tetracarboxylate intercalated in a layered double hydroxide matrix54High-temperature X-ray powder diffraction as a tool for characterization of smectites, layered double hydroxides, and their intercalates with porphyrins22Intercalation of [M(ox)3]3− (M=Cr, Rh) complexes into NiIIFeIII-LDH41Benzocarbazole anions intercalated layered double hydroxide and its tunable fluorescence33Thin film of coumarin-3-carboxylate and surfactant co-intercalated layered double hydroxide with polarized photoluminescence: a joint experimental and molecular dynamics study44Anionic Poly(p-Phenylenevinylene)/Layered Double Hydroxide Ordered Ultrathin Films with Multiple Quantum Well Structure: A Combined Experimental and Theoretical Study46Porphyrins Intercalated in Zn/Al and Mg/Al Layered Double Hydroxides: Properties and Structural Arrangement63Fabrication of an anionic polythiophene/layered double hydroxide ultrathin film showing red luminescence and reversible pH photoresponse20Assembly Chemistry of Anion-intercalated Layered Materials29Recent advances in photofunctional guest/layered double hydroxide host composite systems and their applications: experimental and theoretical perspectives92Near-Infrared Absorption and Polarized Luminescent Ultrathin Films Based on Sulfonated Cyanines and Layered Double Hydroxide25Structural change from homogenous structure to staging in benzoic acid intercalated LDH: experimental and molecular dynamics simulation insights17Valence Force Field for Layered Double Hydroxide Materials Based on the Parameterization of Octahedrally Coordinated Metal Cations46Structural Cohesion of M II -M III Layered Double Hydroxides Crystals: Electrostatic Forces and Cationic Polarizing Power58Mechanochemical synthesis of a fluorenone-based metal organic framework with polarized fluorescence: an experimental and computational study64Regular assembly of 9-fluorenone-2,7-dicarboxylate within layered double hydroxide and its solid-state photoluminescence: a combined experiment and computational study27Two steps in situ structure fabrication of Ni–Al layered double hydroxide on Ni foam and its electrochemical performance for supercapacitors152Niflumic Anion Intercalated Layered Double Hydroxides with Mechano-Induced and Solvent-Responsive Luminescence95Ordered Ultrathin Films of Perylene Anions and Layered Double Hydroxide Using Exfoliation‐coassembly Method8Understanding the thermal motion of the luminescent dyes in the dye–surfactant cointercalated ZnAl-layered double hydroxides: a molecular dynamics study16Insight into the Structure of Layered Zinc Hydroxide Salts Intercalated with Dodecyl Sulfate Anions41Energy and structure of bonds in the interaction of organic anions with layered double hydroxide nanosheets: A molecular dynamics study61Layered host–guest long-afterglow ultrathin nanosheets: high-efficiency phosphorescence energy transfer at 2D confined interface212Fabrication of 3D dual-layered nanofibrous graft loaded with layered double hydroxides and their effects in osteoblastic behavior for bone tissue engineering23Structural transformation of layered double hydroxides: an in situ TEM analysis111Influences of Cation Ratio, Anion Type, and Water Content on Polytypism of Layered Double Hydroxides38How do layered double hydroxides evolve? First in situ insights into their synthesis processes10Ni, Co Hydroxide Modified by Partial Substitution of OH– with Cl– for Boosting Ultra‐Fast Redox Kinetics up to 500 mV s−1 in Supercapacitors48Repurposing lignin to generate functional afterglow paper25Accelerating charge transfer for Ni(OH) 2 through chlorine-anion decoration in the urea electrooxidation reaction3Theoretical Study on the Swelling Mechanism and Structural Stability of Ni3Al-LDH Based on Molecular Dynamics18Layered double hydroxide nanocomposites: a promising platform for sustainable photocatalytic solutions—a short review8New use of impedance spectroscopy as a tool for monitoring in-situ polymerization: Comparative study of dielectric properties of polymer vs. monomer intercalated into LDH2Decreasing dielectric loss of CoAl-LDH by polymerization of intercalated monomer at organic-inorganic interface2Design of Luminescent LDH–Polymer Hybrids via Thermally Activated Molecular Pillaring as an Antimigration Strategy for Fluorophores in Polymers0Molecular dynamics study on surface adsorption of hexyl trimethylammonium bromide, octyl trimethylammonium bromide, sodium hexyl sulfate, and sodium heptyl sulfate0

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  1. A combined study based on experiment and molecular dynamics: perylene tetracarboxylate intercalated in a layered double hydroxide matrix

    Physical Chemistry Chemical Physics · 2009-01-01

    Dongpeng Yan, Jun Guo Lu, Min Wei, Jing Ma, David G. Evans, Xue Duan

    Read original paper ↗ ·

  2. High-temperature X-ray powder diffraction as a tool for characterization of smectites, layered double hydroxides, and their intercalates with porphyrins

    Applied Clay Science · 2009-09-25

    Anna Píšková, Petr Bezdička, David Hradil, Eva Káfuňková, Kamil Lang, Eva Večerníková, František Kovanda, Tomáš Matys Grygar

    Read original paper ↗ ·

  3. Intercalation of [M(ox)3]3− (M=Cr, Rh) complexes into NiIIFeIII-LDH

    Applied Clay Science · 2009-12-12

    Eugenio Coronado, Carlos Martí‐Gastaldo, Efrén Navarro‐Moratalla, Antonio Ribera

    Read original paper ↗ ·

  4. Benzocarbazole anions intercalated layered double hydroxide and its tunable fluorescence

    Physical Chemistry Chemical Physics · 2010-01-01

    Dongpeng Yan, Jun Guo Lu, Jing Ma, Min Wei, David G. Evans, Xue Duan

    Read original paper ↗ ·

  5. Thin film of coumarin-3-carboxylate and surfactant co-intercalated layered double hydroxide with polarized photoluminescence: a joint experimental and molecular dynamics study

    Journal of Materials Chemistry · 2010-01-01

    Dongpeng Yan, Jun Guo Lu, Jing Ma, Min Wei, Shenghui Qin, Li Chen, David G. Evans, Xue Duan

    Read original paper ↗ ·

  6. Anionic Poly(p-Phenylenevinylene)/Layered Double Hydroxide Ordered Ultrathin Films with Multiple Quantum Well Structure: A Combined Experimental and Theoretical Study

    Langmuir · 2010-01-21

    Dongpeng Yan, Jun Guo Lu, Jing Ma, Min Wei, Xinrui Wang, David G. Evans, Xue Duan

    Read original paper ↗ ·

  7. Porphyrins Intercalated in Zn/Al and Mg/Al Layered Double Hydroxides: Properties and Structural Arrangement

    Chemistry of Materials · 2010-03-12

    Eva Káfuňková, Christine Taviot‐Guého, Petr Bezdička, Mariana Klementová, Petr Kovář, Pavel Kubát, Jiří Mosinger, Miroslav Pospı́šil, Kamil Lang

    Read original paper ↗ ·

  8. Fabrication of an anionic polythiophene/layered double hydroxide ultrathin film showing red luminescence and reversible pH photoresponse

    AIChE Journal · 2010-08-17

    Dongpeng Yan, Jun Guo Lu, Jing Ma, Min Wei, David G. Evans, Xue Duan

    Read original paper ↗ ·

  9. Assembly Chemistry of Anion-intercalated Layered Materials

    Elsevier eBooks · 2010-11-12

    Xue Duan, Jun Guo Lu, David G. Evans

    Read original paper ↗ ·

  10. Recent advances in photofunctional guest/layered double hydroxide host composite systems and their applications: experimental and theoretical perspectives

    Journal of Materials Chemistry · 2011-01-01

    Dongpeng Yan, Jun Guo Lu, Min Wei, David G. Evans, Xue Duan

    Read original paper ↗ ·

  11. Near-Infrared Absorption and Polarized Luminescent Ultrathin Films Based on Sulfonated Cyanines and Layered Double Hydroxide

    The Journal of Physical Chemistry C · 2011-04-01

    Dongpeng Yan, Jun Guo Lu, Jing Ma, Min Wei, Shuangde Li, David G. Evans, Xue Duan

    Read original paper ↗ ·

  12. Structural change from homogenous structure to staging in benzoic acid intercalated LDH: experimental and molecular dynamics simulation insights

    Physical Chemistry Chemical Physics · 2012-01-01

    Yanru Zhang, Hongwei Tan, Jingxiang Zhao, Xinxin Li, Hui Ma, Xiaoduan Chen, Xiaojing Yang

    Read original paper ↗ ·

  13. Valence Force Field for Layered Double Hydroxide Materials Based on the Parameterization of Octahedrally Coordinated Metal Cations

    The Journal of Physical Chemistry C · 2012-01-12

    Shitong Zhang, Hong Juan Yan, Min Wei, David G. Evans, Xue Duan

    Read original paper ↗ ·

  14. Structural Cohesion of M II -M III Layered Double Hydroxides Crystals: Electrostatic Forces and Cationic Polarizing Power

    Crystal Growth & Design · 2012-07-20

    Brian Grégoire, Ch. Ruby, Cédric Carteret

    Read original paper ↗ ·

  15. Mechanochemical synthesis of a fluorenone-based metal organic framework with polarized fluorescence: an experimental and computational study

    Journal of Materials Chemistry C · 2012-11-28

    Dongpeng Yan, Rui Gao, Min Wei, Shuangde Li, Jun Guo Lu, David G. Evans, Xue Duan

    Read original paper ↗ ·

  16. Regular assembly of 9-fluorenone-2,7-dicarboxylate within layered double hydroxide and its solid-state photoluminescence: a combined experiment and computational study

    RSC Advances · 2013-01-01

    Dongpeng Yan, Yibing Zhao, Min Wei, Ruizheng Liang, Jun Guo Lu, David G. Evans, Xue Duan

    Read original paper ↗ ·

  17. Two steps in situ structure fabrication of Ni–Al layered double hydroxide on Ni foam and its electrochemical performance for supercapacitors

    Journal of Power Sources · 2013-08-19

    Bin Wang, Qi Liu, Zhongyu Qian, Xiaofei Zhang, Jun Wang, Zhanshuang Li, Huijun Yan, Zan Jun Gao, Fangbo Zhao, Lianhe Liu

    Read original paper ↗ ·

  18. Niflumic Anion Intercalated Layered Double Hydroxides with Mechano-Induced and Solvent-Responsive Luminescence

    Industrial & Engineering Chemistry Research · 2014-01-30

    Yibing Zhao, Heyang Lin, Mingxing Chen, Dongpeng Yan

    Read original paper ↗ ·

  19. Ordered Ultrathin Films of Perylene Anions and Layered Double Hydroxide Using Exfoliation‐coassembly Method

    Chinese Journal of Chemistry · 2014-07-03

    Yingkui Zhang, Ming Song, Yun Rong, Qingyun Meng, Dongpeng Yan

    Read original paper ↗ ·

  20. Understanding the thermal motion of the luminescent dyes in the dye–surfactant cointercalated ZnAl-layered double hydroxides: a molecular dynamics study

    RSC Advances · 2014-09-19

    Simin Xu, Shitong Zhang, Wenying Shi, Fanyu Ning, Yi Fu, Hong Juan Yan

    Read original paper ↗ ·

  21. Insight into the Structure of Layered Zinc Hydroxide Salts Intercalated with Dodecyl Sulfate Anions

    The Journal of Physical Chemistry C · 2014-10-24

    Jan Demel, Jan Hynek, Petr Kovář, Yan Dai, Christine Taviot‐Guého, Ondřej Demel, Miroslav Pospı́šil, Kamil Lang

    Read original paper ↗ ·

  22. Energy and structure of bonds in the interaction of organic anions with layered double hydroxide nanosheets: A molecular dynamics study

    Scientific Reports · 2016-01-28

    Alexey A. Tsukanov, Sergey Grigorievich Psakhie

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  23. Layered host–guest long-afterglow ultrathin nanosheets: high-efficiency phosphorescence energy transfer at 2D confined interface

    Chemical Science · 2016-09-06

    Rui Gao, Dongpeng Yan

    Read original paper ↗ ·

  24. Fabrication of 3D dual-layered nanofibrous graft loaded with layered double hydroxides and their effects in osteoblastic behavior for bone tissue engineering

    Process Biochemistry · 2017-09-23

    Giriprasath Ramanathan, Liji Sobhana, Pedro Fardim, Uma Tiruchirapalli Sivagnanam

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  25. Structural transformation of layered double hydroxides: an in situ TEM analysis

    npj 2D Materials and Applications · 2018-02-15

    Christopher J. Hobbs, Sonia Jaśkaniec, Eoin K. McCarthy, Clive Downing, Konrad Opelt, Konrad Güth, Aleksey Shmeliov, Maurice C. D. Mourad, Karl Sebastian Mandel, Valeria Nicolosi

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  26. Influences of Cation Ratio, Anion Type, and Water Content on Polytypism of Layered Double Hydroxides

    Inorganic Chemistry · 2018-06-04

    Meng Chen, Runliang Zhu, Xiancai Lu, Jianxi Zhu, Hongping He

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  27. How do layered double hydroxides evolve? First in situ insights into their synthesis processes

    RSC Advances · 2022-01-01

    Giscard Doungmo, Alysson F. Morais, Danilo Mustafa, Théophile Kamgaing, Evangéline Njanja, Martin Etter, Ignas Kenfack Tonlé, Huayna Terraschke

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  28. Ni, Co Hydroxide Modified by Partial Substitution of OH– with Cl– for Boosting Ultra‐Fast Redox Kinetics up to 500 mV s−1 in Supercapacitors

    Advanced Functional Materials · 2022-01-19

    Jin Chang, Su Zhang, Mengjiao Shi, Jing Feng, Zheng Liu, Tong Wei, Zhuangjun Fan

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  29. Repurposing lignin to generate functional afterglow paper

    Cell Reports Physical Science · 2022-04-22

    Mingming Yang, Hailong Li, Jing Shen, Shujun Li, Shouxin Liu, Jian Li, Zhijun Chen, Meng Li, Tony D. James

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  30. Accelerating charge transfer for Ni(OH) 2 through chlorine-anion decoration in the urea electrooxidation reaction

    New Journal of Chemistry · 2023-01-01

    Yongjie Zhao, Xiujuan Sun, Qiuhan Cao, Jiajia Zhou, Wenjuan Tan, Zhu Piao, Enhui Liu, Rui Ding, Ping Gao, Weiwei Lin

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  31. Theoretical Study on the Swelling Mechanism and Structural Stability of Ni3Al-LDH Based on Molecular Dynamics

    ACS Omega · 2023-01-10

    Xiaoliang Wang, Leiming Chang, Haonan Zhao, Zhenqiu Yu, Yingkai Xia, Chuanhui Huang, Shaobin Yang, Guoxiang Pan, Shengjie Xia, Yi Liu, Jingxin Fan

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  32. Layered double hydroxide nanocomposites: a promising platform for sustainable photocatalytic solutions—a short review

    Journal of Nanoparticle Research · 2025-02-01

    Vennila Selvaraj, Suresh Sagadevan, Karuppasamy Gurunathan

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  33. New use of impedance spectroscopy as a tool for monitoring in-situ polymerization: Comparative study of dielectric properties of polymer vs. monomer intercalated into LDH

    Materials Letters · 2025-05-08

    Fatima Zahra Bouragba, Wafaa Elhatimi, Abdelmonim Assekouri, Halima Mortadi, Redouane Lahkale, El Mostafa Moujahid, El Mouloudi Sabbar

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  34. Decreasing dielectric loss of CoAl-LDH by polymerization of intercalated monomer at organic-inorganic interface

    Synthetic Metals · 2026-01-12

    Fatima Zahra Bouragba, Abdelmonim Assekouri, Wafaa Elhatimi, El Mostafa Moujahid, El Mouloudi Sabbar

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  35. Design of Luminescent LDH–Polymer Hybrids via Thermally Activated Molecular Pillaring as an Antimigration Strategy for Fluorophores in Polymers

    ACS Applied Optical Materials · 2026-05-26

    Guillaume Zerbib, Damien Boyer, Geneviève Chadeyron, Fabrice Leroux

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  36. Molecular dynamics study on surface adsorption of hexyl trimethylammonium bromide, octyl trimethylammonium bromide, sodium hexyl sulfate, and sodium heptyl sulfate

    Journal of Molecular Modeling · 2026-10-07

    张文艳, Hao Yan, Shuyan Liu, Zongde Chen, Feiwu Chen, Chengwen Chai

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