Toward dynamic crystal structure prediction: integrating thermodynamic and kinetic modeling

Prem K. Reddy, Anish V. Dighe, Rajan R. Bhawnani and Meenesh R. Singh

CrystEngComm, 2026, 28, 1727
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In situ synthesis of an S-scheme COF-5@CsPbBr3 heterojunction for efficient photocatalytic CO2 reduction

Min Zhou, Houlin Liu, Yang Zhang, Yueli Liu and Keqiang Chen

Nanoscale, 2026, 18, 5023
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MlCOFSyn: A Machine Learning Framework To Facilitate the Synthesis of 2D Covalent Organic Frameworks

Yue Shi, Jiaxin Tian and Haoyuan Li

J. Chem. Inf. Model., 2025, 65, 6027
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Mechanistic insights into metal-organic framework thin film growth from microkinetic analysis of in situ X-ray scattering data

Prem K. Reddy, Prince Verma, Ankit Dhakal, Rajan R. Bhawnani, Meagan Phister, Anish V. Dighe, Kevin H. Stone, Gaurav Giri and Meenesh R. Singh

Matter, 2026, 9, 102430
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Multistep Growth Pathway of Covalent Organic Framework Onion Nanostructures

Qi Zheng, Amy Ren, Alexandra Zagalskaya, Haiyan Mao, Daewon Lee, Chongqing Yang, Karen C. Bustillo, Liwen F. Wan, Tuan Anh Pham, Jeffrey A. Reimer, Jian Zhang, Yi Liu and Haimei Zheng

J. Am. Chem. Soc., 2024, 146, 34167
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Modeling the nucleation and growth of covalent organic frameworks: Size distributions and aspect ratios

Jiankai Ge, Howard B. Weatherspoon and Baron Peters

Chemical Engineering Science, 2026, 323, 123177
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A population balance model for the kinetics of covalent organic framework synthesis

Howard Weatherspoon and Baron Peters

The Journal of Chemical Physics, 2024, 160
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Taming Two‐Dimensional Polymerization by a Machine‐Learning Discovered Crystallization Model

Jiaxin Tian, Kiana A. Treaster, Liangtao Xiong, Zixiao Wang, Austin M. Evans and Haoyuan Li

Angew Chem Int Ed, 2024, 63
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Non-classical crystallization in soft and organic materials

Jingshan S. Du, Yuna Bae and James J. De Yoreo

Nat Rev Mater, 2024, 9, 229
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Sequential Hydrolysis of Metal Oxo Clusters Drives Polymorphism in Electrodeposited Zirconium Metal–Organic Frameworks

Rajan R. Bhawnani, Naveen K. Dandu, Prem K. R. Podupu, Anh T. Ngo and Meenesh R. Singh

Chem. Mater., 2024, 36, 2402
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In-Depth Photocatalytic Degradation Mechanism of the Extensively Used Dyes Malachite Green, Methylene Blue, Congo Red, and Rhodamine B via Covalent Organic Framework-Based Photocatalysts

Abdul Haleem, Mohib Ullah, Saif ur Rehman, Afzal Shah, Muhammad Farooq, Tooba Saeed, Ishan Ullah and Hao Li

Water, 2024, 16, 1588
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Taming Two‐Dimensional Polymerization by a Machine‐Learning Discovered Crystallization Model

Jiaxin Tian, Kiana A. Treaster, Liangtao Xiong, Zixiao Wang, Austin M. Evans and Haoyuan Li

Angewandte Chemie, 2024, 136
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Mechanisms of Li-Ion Transport in Two-Dimensional Covalent Organic Framework-Polyethylene Glycol Composite Electrolytes

Yize Jiang, Hanyin Zhang and Haoyuan Li

Chem. Mater., 2025, 37, 4363
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Facile fabrication of COF nanofiltration membranes via acetic acid-catalyzed interfacial polymerization

Yan Pan, Chuanming Tu, Xueyong Li, Luteng Gao, Baiyu Xu, Wen-Hai Zhang and Hong Meng

Journal of Membrane Science, 2025, 732, 124269
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Real-time observation of crystals growth under optical microscopy: A self-assembly process of organic-inorganic intercalation composites driven by electrostatic interaction

Zhaokang Zheng, Zhen Liu, Yujie Ma, Aiwu Wang and Cangtao Zhou

Materials Today Chemistry, 2024, 41, 102334
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Next-Generation Computational and Experimental Tools for Understanding Nucleation and Growth of Metal–Organic Frameworks

Rajan R. Bhawnani, Orlando Mendible Barreto, Prem K. R. Podupu, Yamil Colón, Gaurav Giri and Meenesh R. Singh

ACS Materials Lett., 2025, 7, 906
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