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Potential and Performances of C70, Si70, CNT(5, 0) and SiNT(5, 0) as ORR and OER Catalysts

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Abstract

Here, the potential of Zn doped carbon nanostructures and Zn doped silicon nanostructures to catalyze the OER and ORR processes is investigated by theoretical methods. The O*, H*, *OH, *OOH, O2 and H2O species are adsorbed on Zn-CNT(5, 0) and Zn-SiNT(5, 0). The potential-determining steps on catalysts are *OH removal and *OOH formation. The overpotential of ORR are 1.01, 0.96, 1.13 and 1.10 V, respectively. The H2O is adsorbed on Zn-C70, Zn-Si70, Zn-CNT(5, 0) and Zn-SiNT(5, 0) catalysts physically. The H2O can desorb on on Zn-C70, Zn-Si70 and Zn-CNT(5, 0) catalysts, easily. The overpotential for OER are 1.15, 1.09, 1.25 and 1.20 V, respectively. The Zn-SiNT(5, 0) catalyst has lower overpotential values than Zn-C70, Zn-Si70 and Zn-CNT(5, 0) catalysts. The Zn-SiNT(5, 0) with acceptable catalytic activity is proposed to catalyze the ORR and OER processes.

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Acknowledgment

The author K M Batoo would like to thank Researchers Supporting Project No. (RSP2023R148), King Saud University, Riyadh, Saudi Arabia for the financial support.

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Authors and Affiliations

  1. Al-Zahraa University for Women, Karbala, Iraq

    Eyhab Ali

  2. Al-Manara College for Medical Sciences(Maysan), Amarah, Iraq

    Muhaned Zaidi

  3. College of Science, King Saud University, P.O. Box 2455, Riyadh, 11451, Saudi Arabia

    Khalid Mujasam Batoo

  4. Hybrid Materials Center (HMC), Sejong University, Seoul, 05006, Republic of Korea

    Sajjad Hussain

  5. Department of Nanotechnology and Advanced Materials Engineering, Sejong University, Seoul, 05006, Republic of Korea

    Sajjad Hussain

  6. Department of Medical Laboratories Technology/ Al-Hadi University College, Baghdad, 10011, Iraq

    Ausama A. Almulla

  7. Department of Anesthesia Techniques, Al-Noor University College, Nineveh, Iraq

    Ahmed Abd Al-Sattar Dawood

  8. College of pharmacy, National University of Science and Technology, Dhi Qar, Iraq

    Sada Ghalib Al-Musawi

  9. College of Dentistry, Al-Ayen University, Thi-Qar, Iraq

    Montather F. Ramadan

  10. Department of medical engineering, Al-Esraa University College, Baghdad, Iraq

    Sarah A. Hamood

  11. Department of Medical Laboratories Technology, AL-Nisour University College, Baghdad, Iraq

    Salah Hassan Zain Al-Abdeen

  12. College of Technical Engineering, the Islamic University, Najaf, Iraq

    Rahman S. Zabibah

  13. College of Technical Engineering, the Islamic University of Al Diwaniyah, Al Diwaniyah, Iraq

    Rahman S. Zabibah

  14. College of Technical Engineering, the Islamic University of Babylon, Babylon, Iraq

    Rahman S. Zabibah

  15. College of Technical Engineering, Imam Ja’afar Al-Sadiq University, Al-Muthanna, 66002, Iraq

    Ali Alsalamy

Authors
  1. Eyhab Ali
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  2. Muhaned Zaidi
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  3. Khalid Mujasam Batoo
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  4. Sajjad Hussain
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  5. Ausama A. Almulla
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  6. Ahmed Abd Al-Sattar Dawood
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  7. Sada Ghalib Al-Musawi
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  9. Sarah A. Hamood
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  10. Salah Hassan Zain Al-Abdeen
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  11. Rahman S. Zabibah
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  12. Ali Alsalamy
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Contributions

Eyhab Ali: Conceptualization, Methodology, Software, Muhaned Zaidi: Formal analysis, Investigation Resources, Khalid Mujasam Batoo: Software, Validation, Writing - Original Draft, Sajjad Hussain: Writing - Original Draft, Writing - Review & Editing, Ausama A. Almulla: Validation, Formal analysis, Investigation Resources, Ahmed Abd Al-Sattar Dawood: Writing - Review & Editing, Visualization. Data Curation, Sada Ghalib Al- Musawi: Validation, Formal analysis, Investigation Resources, Montather F. Ramadan: Validation, Validation, Formal analysis, Sada Ghalib Al- Musawi: Conceptualization, Methodology, Software, Visualization, Salah Hassan Zain Al-Abdeen; Conceptualization, Methodology, Data Curation, Software, Rahman S. Zabibah: Validation, Validation, Formal analysis, Ali Alsalamy: Conceptualization, Methodology, Data Curation, Software

Corresponding author

Correspondence to Khalid Mujasam Batoo.

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All procedures performed in studies involving human participants were in accordance with the ethical standards of the institutional and/or national research committee and with the 1964 Helsinki declaration and its later amendments or comparable ethical standards.

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Ali, E., Zaidi, M., Batoo, K.M. et al. Potential and Performances of C70, Si70, CNT(5, 0) and SiNT(5, 0) as ORR and OER Catalysts. Silicon 16, 1231–1236 (2024). https://doi.org/10.1007/s12633-023-02751-6

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  • DOI: https://doi.org/10.1007/s12633-023-02751-6

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