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RESEARCH PAPER · The Journal of Physical Chemistry Letters · 2023

Band-Edge Prediction of 2D Covalent Organic Frameworks from Molecular Precursor via Machine Learning

Dayong Wang, Haifeng Lv, Yangyang Wan, Xiaojun Wu, Jinlong Yang

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26 direct citing papers in this saved network. Explore the next layer with second-order citations.

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42 direct citing works

Band-Edge Prediction of 2D Covalent Organic Frameworks from Molecular Precursor via Machine LearningOriginalCovalent Organic Frameworks: Opportunities for Rational Materials Design in Cancer Therapy5Covalent Organic Frameworks: Opportunities for Rational Materials Design in Cancer Therapy72Impact of Structural Defects on the Electronic Properties of Two-Dimensional Covalent Organic Frameworks27In-plane polarity boosts photocatalytic overall water splitting in two-dimensional covalent organic frameworks with polarized linkages16COFNet: A deep learning model to predict the specific surface area of covalent-organic frameworks using structural images and statistic features5Design of two-dimensional porous covalent organic framework semiconductors for visible-light-driven overall water splitting: A theoretical perspective11Designing building blocks of covalent organic frameworks through on-the-fly batch-based Bayesian optimization1A critical review of COFs-based photocatalysis for environmental remediation73Two‐Dimensional Covalent Organic Frameworks in Organic Electronics58Two‐Dimensional Covalent Organic Frameworks in Organic Electronics3Machine Learning Accelerated Discovery of Covalent Organic Frameworks for Environmental and Energy Applications66Accelerating Band Gap Prediction and High-Throughput Screening of Covalent Organic Frameworks Based on Transfer Learning4Linkages conversion of imine to amide promotes photocatalytic overall water splitting in Two-Dimensional covalent organic frameworks: The role of polarity effects12Fundamentals of charge transport in two-dimensional framework materials24Creating Gallium-based alloys with the lowest melting point via reverse design approach4Research on the Application Status of Artificial Intelligence in Covalent Organic Frameworks2Rational Design of Covalent Organic Frameworks for Enhanced Reticular Electrochemiluminescence and Biosensing Applications9Exploring covalent organic frameworks through the lens of computational chemistry10Intelligent initial configuration design for connected satellites control in pursuit-evasion games via dynamic directional competitive swarm optimizer2Covalent-organic frameworks: An intelligent platform for photocatalytic uranium reduction and separation14Covalent organic frameworks for precision rare earth separation: from biomimetic ion channels to intelligent molecular machines2Data‐Guided Photocatalysis: Supervised Machine Learning in Water Splitting and CO 2 Conversion3Digital Reticular Chemistry: How Artificial Intelligence is Redefining Covalent Organic Framework Research3Facile DFT Band Gap Correction toward the Hybrid Density Functional Level for 2D-Covalent Organic Frameworks1Decoupling Activation and Preservation: Architectural Design Principles of Organic Frameworks for Selective Photocatalytic Methane Oxidation0Integrating Machine Learning and High‐Throughput Calculations for the Rational Design of Photocatalytic 2D‐COFs on Overall Water Splitting0

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  1. Covalent Organic Frameworks: Opportunities for Rational Materials Design in Cancer Therapy

    Angewandte Chemie · 2023-11-21

    Lele Zhou, Qun Guan, Yu‐Bin Dong

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  2. Covalent Organic Frameworks: Opportunities for Rational Materials Design in Cancer Therapy

    Angewandte Chemie International Edition · 2023-11-21

    Lele Zhou, Qun Guan, Yu‐Bin Dong

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  3. Impact of Structural Defects on the Electronic Properties of Two-Dimensional Covalent Organic Frameworks

    ACS Materials Letters · 2023-12-26

    Kun Du, Liangtao Xiong, Chengbin Fu, Xiaojuan Ni, Jean‐Luc Brédas, Haoyuan Li

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  4. In-plane polarity boosts photocatalytic overall water splitting in two-dimensional covalent organic frameworks with polarized linkages

    Journal of Materials Chemistry A · 2024-01-01

    Yingcai Fan, Zhihua Zhang, Xikui Ma, Mingwen Zhao

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  5. COFNet: A deep learning model to predict the specific surface area of covalent-organic frameworks using structural images and statistic features

    Chemical Physics Letters · 2024-06-01

    Teng Wang, Xiaolin Yang, Kefei Zhang, Hua Cao, Zhongchao Tan, Hesheng Yu

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  6. Design of two-dimensional porous covalent organic framework semiconductors for visible-light-driven overall water splitting: A theoretical perspective

    Chinese Journal of Structural Chemistry · 2024-06-25

    Yu‐Ting Wu, Yuting Wu, Haifeng Lv, Xiaojun Wu

    Read original paper ↗ ·

  7. Designing building blocks of covalent organic frameworks through on-the-fly batch-based Bayesian optimization

    The Journal of Chemical Physics · 2024-08-15

    Yuxuan Yao, Harald Oberhofer

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  8. A critical review of COFs-based photocatalysis for environmental remediation

    Environmental Research · 2025-02-18

    Lichao Wang, Lichao Wang, Hao Du, Xiaoqing Wang, Xiaoqing Wang, Derek Hao, Qiang Li, Huayue Zhu, Chunjuan Li, Qi Wang

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  9. Two‐Dimensional Covalent Organic Frameworks in Organic Electronics

    Angewandte Chemie International Edition · 2025-03-12

    Qi Liu, Qiang Li, Yu Li, Taotao Su, Binghan Hou, Yibo Zhao, Youzhi Xu

    Read original paper ↗ ·

  10. Two‐Dimensional Covalent Organic Frameworks in Organic Electronics

    Angewandte Chemie · 2025-03-12

    Qi Liu, Qiang Li, Yu Li, Taotao Su, Binghan Hou, Yibo Zhao, Youzhi Xu

    Read original paper ↗ ·

  11. Machine Learning Accelerated Discovery of Covalent Organic Frameworks for Environmental and Energy Applications

    Environmental Science & Technology · 2025-03-30

    Hao Wang, Yuquan Li, Xiaoyang Xuan, Kai Wang, Ye‐Feng Yao, Likun Pan

    Read original paper ↗ ·

  12. Accelerating Band Gap Prediction and High-Throughput Screening of Covalent Organic Frameworks Based on Transfer Learning

    The Journal of Physical Chemistry C · 2025-04-01

    Qinglin Wei, Jiaxiang Qiu, Ruirui Wang, Zhongti Sun, Yuee Xie, Yuanping Chen, Yangyang Wan

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  13. Linkages conversion of imine to amide promotes photocatalytic overall water splitting in Two-Dimensional covalent organic frameworks: The role of polarity effects

    Journal of Catalysis · 2025-04-05

    Liqun Song, Zhonghai Lin, Zhihua Zhang, Yingcai Fan, Mingwen Zhao

    Read original paper ↗ ·

  14. Fundamentals of charge transport in two-dimensional framework materials

    Nature Reviews Materials · 2025-09-24

    Shuai Fu, Jianjun Zhang, Xiao Li, Enquan Jin, Lei Gao, Renhao Dong⧫, Zhiyong Wang, Xinliang Feng, Hai I. Wang, Mischa Bonn

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  15. Creating Gallium-based alloys with the lowest melting point via reverse design approach

    Acta Materialia · 2025-09-27

    Yanmiao Wu, Taiang Liu, Tian Lu, Tian Lu, Minjie Li, Wenyan Zhou, Wencong Lu

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  16. Research on the Application Status of Artificial Intelligence in Covalent Organic Frameworks

    ChemistrySelect · 2025-11-01

    Yuhan Zhao, Shaoxiang Yang

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  17. Rational Design of Covalent Organic Frameworks for Enhanced Reticular Electrochemiluminescence and Biosensing Applications

    Biosensors · 2025-11-16

    Bing Sun, Lin Cui

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  18. Exploring covalent organic frameworks through the lens of computational chemistry

    Materials Advances · 2025-11-26

    Parashmoni Rajguru, Prarthana Bora, Chinmoy Bhuyan, Swapnali Hazarika

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  19. Intelligent initial configuration design for connected satellites control in pursuit-evasion games via dynamic directional competitive swarm optimizer

    Journal of the Franklin Institute · 2026-01-01

    Hanyu Qian, Wenzheng Yuan, Bing Xiao

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  20. Covalent-organic frameworks: An intelligent platform for photocatalytic uranium reduction and separation

    Chinese Chemical Letters · 2026-01-31

    Zhongshan Chen, Jianen Li, Qiao Ma, Xishi Tai, Jiehong Lei, Xiangke Wang

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  21. Covalent organic frameworks for precision rare earth separation: from biomimetic ion channels to intelligent molecular machines

    Coordination Chemistry Reviews · 2026-02-20

    Xiaodong Li, Bin Zuo, Guoze Yan, Bingbing Shen, Pengde Li, Xingtao Xu, Haiyan Hu

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  22. Data‐Guided Photocatalysis: Supervised Machine Learning in Water Splitting and CO 2 Conversion

    Advanced Intelligent Discovery · 2026-02-22

    Paul Rossener Regonia, Christian Mark Pelicano

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  23. Digital Reticular Chemistry: How Artificial Intelligence is Redefining Covalent Organic Framework Research

    JACS Au · 2026-06-12

    Gokhan Onder Aksu, Seda Keskın

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  24. Facile DFT Band Gap Correction toward the Hybrid Density Functional Level for 2D-Covalent Organic Frameworks

    The Journal of Physical Chemistry C · 2026-06-26

    Laura Fuchs, Maximilian F. X. Dorfner, Matthias Knechtges, Johann Olbrich, Frank Ortmann

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  25. Decoupling Activation and Preservation: Architectural Design Principles of Organic Frameworks for Selective Photocatalytic Methane Oxidation

    Advanced Materials · 2026-07-15

    Minxian Zhang, Jie He, Jinqiang Zhang, Hongqi Sun, Shaobin Wang, Xiaoguang Duan

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  26. Integrating Machine Learning and High‐Throughput Calculations for the Rational Design of Photocatalytic 2D‐COFs on Overall Water Splitting

    Advanced Energy Materials · 2026-09-03

    Rui Zhang, Zhao‐Di Yang, Xiaoyu Chu, Guiling Zhang

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