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RESEARCH PAPER · Computational Materials Science · 2022

First principle study of benzoquinone based microporous conjugated polymers as cathode materials for high-performance magnesium ion batteries

Adnan Ali Khan, Imran Muhammad, Rashid M Ahmad, Iftikhar Ahmad, Najeeb Ullah

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First principle study of benzoquinone based microporous conjugated polymers as cathode materials for high-performance magnesium ion batteriesOriginalQuinone functionalized highly porous polymer as cathode material for Mg ion batteries: A DFT study20Use of a Porous Phenanthrenequinone Polymer-Based Cathode in Mg-Ion Batteries15Nanostructured Design Cathode Materials for Magnesium-Ion Batteries25Evaluating the role of nitrogen in carbon hosts for aqueous zinc sulfur batteries10A DFT-based design of B/N/P-co-doped oxo-triarylmethyl as a robust anode material for magnesium-ion batteries28Si48, SiNT(7, 0), B24N24 and BNNT(7, 0) as Acceptable Anode Materials in Mg-ion Batteries0Metal-doped nanocages (Fe-Si76, Fe-C76, and Fe-Al38N38) as potential catalysts for ozone decomposition to oxygen molecules2Organic Heterophase Composites Induced Sulfur Vacancies and Internal Electric Field Enhancement for Advanced Magnesium Storage of Copper Sulfide Cathodes23Metal-organic framework formation by [Fe4S4] clusters offers promising electrochemical performance2Capacities of carbon, germanium, aluminum nitride, and aluminum phosphide nanotubes and nanocages as anode electrodes in Li-, Na-, and Mg-ion batteries1Monolayered π-d conjugated metal-2,3,5,6-tetraamino-1,4-benzoquinone coordination polymers as potential cathode materials for Li-ion batteries5Exploring Penta-BCN nanosheet as a promising anode material for rechargeable Mg-ion batteries: A computational study5Engineering Anodic Materials for Metal‐Ion Batteries with Conducting Polymer Functionalized Boron Nitride Nanocages: A DFT Perspective0Strategies for fabrication and potential applications of conjugated microporous polymer films1A DFT study for evaluation of the electrochemical performance of hydrogen boride monolayer as anode for Mg-ion battery2Pyrene tetraone functionalized carbonyl-rich highly extended-conjugated polyimide-linked based porous polymer as a high performance organic cathode material for Mg-ion batteries1Ni-tetraaminobenzoquinone organic electrodes for advanced Li-ion hybrid supercapacitors: An ab initio study0Unlocking the power of pyrene tetraone: A first-principles insight into porous polymers for magnesium-ion batteries0Microstructural regulation in NH4V4O10 with enhanced Mg-ion storage performance for long-life Mg-Ion batteries0Magnesium-ion battery cathode materials: Artificial intelligence applications, research advances, and industrialization0Exploring the Feasibility of Hydrogen Boride Nanosheet for Ca-Ion Batteries: A DFT Investigation0

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21 direct citing papers saved.

  1. Quinone functionalized highly porous polymer as cathode material for Mg ion batteries: A DFT study

    Journal of Power Sources · 2023-07-05

    Adnan Ali Khan, Imran Muhammad, Rashid M Ahmad, Iftikhar Ahmad, Najeeb Ullah

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  2. Use of a Porous Phenanthrenequinone Polymer-Based Cathode in Mg-Ion Batteries

    The Journal of Physical Chemistry C · 2023-07-18

    Adnan Ali Khan, Imran Muhammad, Rashid M Ahmad, Iftikhar Ahmad, Najeeb Ullah

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  3. Nanostructured Design Cathode Materials for Magnesium-Ion Batteries

    ACS Omega · 2024-01-19

    Mohsin Javed, Afzal Shah, Jan Nisar, Suniya Shahzad, Abdul Haleem, Iltaf Shah

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  4. Evaluating the role of nitrogen in carbon hosts for aqueous zinc sulfur batteries

    Ionics · 2024-03-21

    Chunhua Xu, Kangning Wang, Wenlin Zhang, Feng Fu, Jianwei Wang

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  5. A DFT-based design of B/N/P-co-doped oxo-triarylmethyl as a robust anode material for magnesium-ion batteries

    Journal of Power Sources · 2024-04-06

    Sadegh Kaviani, Irina Piyanzina, Oleg V. Nedopekin, Dmitrii A. Tayurskii, Rezvan Rahimi

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  6. Si48, SiNT(7, 0), B24N24 and BNNT(7, 0) as Acceptable Anode Materials in Mg-ion Batteries

    Silicon · 2024-07-17

    Tariq Jwad Al-Musawi, Farag M. A. Altalbawy, Iman Samir Alalaq, Raquel Virginia Colcha Ortíz, Rohit Sharma, Muyassar Norberdiyeva, Mamata Chahar, Usama S. Altimari, Sadeq Khudhur Thajeel, Merwa Alhadrawi, Yuan Liu

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  7. Metal-doped nanocages (Fe-Si76, Fe-C76, and Fe-Al38N38) as potential catalysts for ozone decomposition to oxygen molecules

    Ionics · 2024-09-23

    Farag M. A. Altalbawy, Soumya Vettiyatil Menon, Shelesh Krishna Saraswat, Bharti Kumari, Rajni Verma, G. V. Siva Prasad, Mohammed Ayad Alboreadi, Zainab Ahmed Hamodi, Hussein Ghafel Shakier, Muthna kereem, Yeilin Yan

    Read original paper ↗ ·

  8. Organic Heterophase Composites Induced Sulfur Vacancies and Internal Electric Field Enhancement for Advanced Magnesium Storage of Copper Sulfide Cathodes

    Advanced Functional Materials · 2024-09-23

    Xiaoqian He, Ruiqi Cheng, Xinyu Sun, Fengzhan Sun, Yang Fu, Yitong Li, Peng Li, Zhao Li, Hao Xu, Richard M. Laine, Jianxin Zou

    Read original paper ↗ ·

  9. Metal-organic framework formation by [Fe4S4] clusters offers promising electrochemical performance

    Computational Materials Science · 2024-11-22

    Fatemeh Keshavarz, Elham Mazarei, Atlas Noubir, B. Barbiellini

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  10. Capacities of carbon, germanium, aluminum nitride, and aluminum phosphide nanotubes and nanocages as anode electrodes in Li-, Na-, and Mg-ion batteries

    Ionics · 2025-01-03

    Farag M. A. Altalbawy, Ahmad Alkhayyat, Prakash Kanjariya, Abhinav Kumar, Asha Rajiv, Aman Shankhyan, Helen Merina Albert, Bhavik Jain, Yuoan Liu

    Read original paper ↗ ·

  11. Monolayered π-d conjugated metal-2,3,5,6-tetraamino-1,4-benzoquinone coordination polymers as potential cathode materials for Li-ion batteries

    Journal of Energy Storage · 2025-01-05

    Muhammad Huzaifa, Muhammad Osama Shafiq, Mohammad Nur‐e‐Alam, Caterina Cocchi, Zaheer Ul‐Haq

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  12. Exploring Penta-BCN nanosheet as a promising anode material for rechargeable Mg-ion batteries: A computational study

    Solid State Communications · 2025-01-18

    Adnan Ali Khan, Sarah Abdullah Alsalhi, Amnah Mohammed Alsuhaibani, Moamen Salah El-Deen Refat, Muhammad Yar, Faisal Ali

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  13. Engineering Anodic Materials for Metal‐Ion Batteries with Conducting Polymer Functionalized Boron Nitride Nanocages: A DFT Perspective

    ChemistrySelect · 2025-07-01

    Shehu Mohammed, Sajjad Hussain, Abdulaziz A. Al‐Saadi

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  14. Strategies for fabrication and potential applications of conjugated microporous polymer films

    Chinese Chemical Letters · 2025-07-18

    Wang Wang, Miao Feng, Shuqi Zou, Chunxia Chen, Jinsong Peng, Xiaobai Li, Shitong Zhang, Xin Ai, Hongwei Ma

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  15. A DFT study for evaluation of the electrochemical performance of hydrogen boride monolayer as anode for Mg-ion battery

    Journal of Energy Storage · 2025-08-18

    Uday Abdul‐Reda Hussein, Ammar Kh. Hammad, Shaxnoza Ravshanbekovna Saydaxmetova, Baraa Mohammed Yaseen, Rafid Jihad Albadr, Waam Mohammed Taher, Mariem Alwan, Mohammed Ali Akbar, Javed Khan Bhutto, Saiful Islam

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  16. Pyrene tetraone functionalized carbonyl-rich highly extended-conjugated polyimide-linked based porous polymer as a high performance organic cathode material for Mg-ion batteries

    Journal of Physics and Chemistry of Solids · 2026-02-17

    Muhammad Ismail, Adnan Ali Khan, Rashid M Ahmad, Iftikhar Ahmad

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  17. Ni-tetraaminobenzoquinone organic electrodes for advanced Li-ion hybrid supercapacitors: An ab initio study

    Journal of Energy Storage · 2026-05-18

    Nadeem Ahmad, Alamgir Khan, Madiha Sardar, Muhammad Huzaifa, Hendrik Heinz, Mohammad Nur‐e‐Alam, Zaheer Ul‐Haq

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  18. Unlocking the power of pyrene tetraone: A first-principles insight into porous polymers for magnesium-ion batteries

    Journal of Energy Storage · 2026-05-20

    Muhammad Izzat Bin Mohamed Ismail, Adnan Ali Khan, Rashid M Ahmad, Iftikhar Ahmad

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  19. Microstructural regulation in NH4V4O10 with enhanced Mg-ion storage performance for long-life Mg-Ion batteries

    Applied Surface Science · 2026-06-19

    Renshuo Ding, Hang He, Jiarui Zhang, Ruihang Wen, Jiateng Jin, Kun Luo

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  20. Magnesium-ion battery cathode materials: Artificial intelligence applications, research advances, and industrialization

    Journal of Magnesium and Alloys · 2026-07-01

    Ziyin You, Liang Fu, Guangsheng Huang, Shuiai Luo, Nanxiang Wang, X Chen, Yi-Xiang Wang, Xiaoyuan Zhou, Fusheng Pan

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  21. Exploring the Feasibility of Hydrogen Boride Nanosheet for Ca-Ion Batteries: A DFT Investigation

    Journal of Cluster Science · 2026-07-27

    Qamar Abuhassan, Ahmed Aldulaimi, O. Waleed, Subbulakshmi Ganesan, Kavitha V, Laxmidhar Maharana, Renu Sharma, Khalmurat Iliev, Zukhra A. Atamuratova, Davronbek Yulchiev, Aseel Smerat

    Read original paper ↗ ·
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