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Metal Doped Nanostructures as Catalysts of Nitrogen Reduction to Ammonia

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Abstract

Here, the catalytic activity of Mn-C48, Mn-Si48, Cu-C38, Cu-B19N19, Ni-C44, Ni-B22P22, Fe-C80, Fe-Al40P40 nanocages for N2-RR are investigated. The possible mechanisms of N2-RR on metal adsorbed nanocages are examined. The limiting step in distal, enzymatic and alternating pathways for N2-RR on metal adsorbed nanocages is metal-*NN → Metal-*NNH. The metal-*NN → Metal-*NNH is limiting step for N2-RR on metal adsorbed nanocages by mixed pathway. In distal and enzymatic pathways, the Metal-*NN → Metal-*NNH and Metal-*NNH2 → Metal-*N + NH3 are endothermic steps. In alternating and mixed pathways, the Metal-*NN → Metal-*NNH and Metal-*NH2NH2 → Metal-*NH2NH3 are endothermic steps. The Mn-Si48, Cu-B19N19, Ni-B22P22 and Fe-Al40P40 nanocages have higher catalytic activity than carbon nanocages for N2-RR. The over-potential for N2-RR on Fe-Al40P40 by studied pathways are 0.220, 0.230, 0.223 and 0.238 V. The Mn-Si48, Cu-B19N19, Ni-B22P22 and Fe-Al40P40 nanocages can be proposed as new catalysts for N2-RR to create the NH3 molecule.

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Acknowledgements

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

    Khalid Mujasam Batoo

  2. Department of Medical Laboratories Technology, Al-Manara College for Medical Sciences, Amarah, Iraq

    Suhair Mohammad Husein Kamona

  3. Department of Biomedical Engineering, Ashur University College, Baghdad, Iraq

    Kadhum Al-Majdi

  4. Department of Medical Engineering, Al-Esraa University College, Baghdad, Iraq

    Fadhil A. Rasen

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

    Usama S. Altimari

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

    Sajjad Hussain

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

    Sajjad Hussain

  8. Department of Medical Engineering, Al-Hadi University College, Baghdad, 10011, Iraq

    Ayadh Al-khalidi

  9. Department of Computer Engineering, Technical Engineering College, Al-Ayen University, Thi-Qar, Iraq

    Adnan Hashim Abdulkadhim

  10. Department of Medical Engineering, College of Pharmacy, National University of Science and Technology, Dhi Qar, Iraq

    Ashwaq Talib Kareem

  11. College of Technical Engineering, The Islamic University, Najaf, Iraq

    Ahmed Alawadi

  12. College of Technical Engineering, The Islamic University of Al Diwaniyah, Al Diwaniyah, Iraq

    Ahmed Alawadi

  13. College of Technical Engineering, The Islamic University of Babylon, Babylon, Iraq

    Ahmed Alawadi

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

    Ali Alsalamy

  15. Independent Researcher, ChiFeng, Inner Mongolia, China

    Rijuan Ma

Authors
  1. Khalid Mujasam Batoo
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  2. Suhair Mohammad Husein Kamona
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  8. Adnan Hashim Abdulkadhim
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  9. Ashwaq Talib Kareem
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  10. Ahmed Alawadi
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  11. Ali Alsalamy
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  12. Rijuan Ma
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Contributions

Khalid Mujasam Batoo: Conceptualization, Methodology, Software, Response to referee comments, Calculate new data in revision, Suhair Mohammad Husein Kamona: Formal analysis, Investigation Resources, Validation, Formal analysis, Response to referee comments, Calculate new data in revision, Kadhum Al-Majdi: Investigation Resources, Writing—Review & Editing, Visualization, Data Curation, Response to referee comments, Calculate new data in revision, Fadhil A. Rasen: Validation, Formal analysis, Investigation, Resources, Response to referee comments, Writing—Review & Editing, Calculate new data in revision, Usama S. Altimari: Validation, Validation, Formal analysis, Response to referee comments, Calculate new data in revision, Writing—Review & Editing, Sajjad Hussain: Formal analysis, Investigation, Resources, Validation, Formal analysis, Response to referee comments, Calculate new data in revision, Ayadh Al-khalidi: Validation, Writing—Review & Editing, Formal analysis, Investigation Resources, Response to referee comments, Calculate new data in revision, Adnan Hashim Abdulkadhim: Methodology, Software, Formal analysis, Data Curation, Response to referee comments, Calculate new data in revision, Ashwaq Talib Kareem: Conceptualization, Methodology, Software, Response to referee comments, Calculate new data in revision, Ahmed Alawadi: Validation, Formal analysis, Writing—Review & Editing, Investigation, Resources, Response to referee comments, Calculate new data in revision, Ali Alsalamy: Conceptualization, Writing—Review & Editing, Methodology, Software, Response to referee comments, Calculate new data in revision, Lijuan Ma: Conceptualization, Methodology, Software, Writing—Original Draft, Writing—Review & Editing.

Corresponding authors

Correspondence to Khalid Mujasam Batoo or Rijuan Ma.

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Batoo, K.M., Kamona, S.M.H., Al-Majdi, K. et al. Metal Doped Nanostructures as Catalysts of Nitrogen Reduction to Ammonia. Silicon 16, 1421–1431 (2024). https://doi.org/10.1007/s12633-023-02756-1

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