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The reaction mechanism of a M (M = Mn, Fe, Co and Ni) atom inserted into a Fe8O12 cage

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Abstract

The reaction process of a M (M = Mn, Fe, Co and Ni) atom associated and then interpolated into a Fe8O12 cage is calculated by using a PBE exchange–correlation functional. The results reveal that Mn@Fe8O12 core@shell cluster possesses lower symmetry than the other MFe8O12 (M = Fe, Co and Ni) core@shell clusters. The MFe8O12 cages are more stable than the Fe8O12 cage and the corresponding M@Fe8O12 core@shell clusters. The M@Fe8O12 core@shell clusters are difficult to form via higher energy barriers. The M atom association ability of the Fe8O12 cage is as follows: Fe > Co > Ni > Mn. All the M association and interpolation Fe8O12 clusters have higher chemical activity.

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References

  1. H.T. Hai, H. Kura, M. Takahashi, T. Ogawa, J. Appl. Phys. 107, 09E301 (2010)

    Article  CAS  Google Scholar 

  2. D. Odkhuu, P. Taivansaikhan, W.S. Yun, S.C. Hong, J. Appl. Phys. 115, 17A916 (2014)

    Article  CAS  Google Scholar 

  3. M. Vaez-zadeh, A. Mohammadi, JOM 66, 1345 (2014)

    Article  CAS  Google Scholar 

  4. S. Sun, H. Zeng, J. Am. Chem. Soc. 124, 8204 (2002)

    Article  CAS  PubMed  Google Scholar 

  5. J.N. Park, K. An, Y. Hwang, J.-G. Park, H.-J. Noh, J.-Y. Kim, J.-H. Park, N.-M. Hwang, T. Hyeon, Nat. Mater. 3, 891 (2004)

    Article  CAS  PubMed  Google Scholar 

  6. Q. He, T. Yuan, J. Zhu, Z. Luo, N. Haldolaarachchige, L. Sun, A. Khasanov, Y. Li, D.P. Young, S. Wei, Z. Guo, Polymer 53, 3642 (2012)

    Article  CAS  Google Scholar 

  7. R. Cabreira-Gomes, F.G. Silva, R. Aquino, P. Bonville, F.A. Tourinho, R. Perzynski, J. Depeyrot, J. Magn. Magn. Mater. 368, 409 (2014)

    Article  CAS  Google Scholar 

  8. Y.H. Hou, Y.L. Huang, S.J. Hou, S.C. Ma, Z.W. Liu, Y.F. Ouyang, J. Magn. Magn. Mater. 421, 300 (2017)

    Article  CAS  Google Scholar 

  9. Q.-C. Sun, H. Sims, D. Mazumdar, J.X. Ma, B.S. Holinsworth, K.R. O’Neal, G. Kim, W.H. Butler, A. Gupta, J.L. Musfeldt, Phys. Rev. B. 86, 205106 (2012)

    Article  CAS  Google Scholar 

  10. R.C. Rai, S. Wilser, M. Guminiak, B. Cai, M.L. Nakarmi, Appl. Phys. A 106, 207 (2012)

    Article  CAS  Google Scholar 

  11. Y. Li, C. Cai, C. Zhao, Y. Gu, Mod. Phys. Lett. B. 30, 1650239 (2016)

    Article  CAS  Google Scholar 

  12. N. Daffé, M. Sikora, M. Rovezzi, N. Bouldi, V. Gavrilov, S. Neveu, F. Choueikani, P. Ohresser, V. Dupuis, D. Taverna, A. Gloter, M. Arrio, P. Sainctavit, A. Juhin, Adv. Mater. Interfaces 4, 1700599 (2017)

    Article  CAS  Google Scholar 

  13. Z. Li, Z. Zhao, S. Li, Q. Wang, Comput. Mater. Sci. 110, 340 (2015)

    Article  CAS  Google Scholar 

  14. B. Delley, J. Chem. Phys. 92, 508 (1990)

    Article  CAS  Google Scholar 

  15. B. Delley, J. Chem. Phys. 113, 7756 (2000)

    Article  CAS  Google Scholar 

  16. Y. Li, C. Cai, C. Zhao, Y. Gu, Mod. Phys. Lett. B. 30, 1650239 (2016)

    Article  CAS  Google Scholar 

  17. R. Logemann, G.A. de Wijs, M.I. Katsnelson, A. Kirilyuk, Phys. Rev. B. 92, 144427 (2015)

    Article  CAS  Google Scholar 

  18. Z. Zhao, Z. Li, Q. Wang, D. Wang, C. Wu, Z. Zhou, Comput. Theor. Chem. 1095, 9 (2016)

    Article  CAS  Google Scholar 

  19. Z. Li, Z. Zhou, H. Wang, S. Li, Z. Zhao, J. Cryst. Growth 449, 22 (2016)

    Article  CAS  Google Scholar 

  20. Z. Li, Z. Zhao, Phase Transit. 91, 426 (2018)

    Article  CAS  Google Scholar 

  21. R.S. Mülliken, J. Chem. Phys. 23, 1841 (1955)

    Article  Google Scholar 

  22. Z. Li, Z. Zhao, J. Mater. Sci. 52, 3301 (2017)

    Article  CAS  Google Scholar 

  23. Z. Li, Z. Zhao, S. Li, Q. Wang, Solid State Commun. 221, 5 (2015)

    Article  CAS  Google Scholar 

  24. X.L. Ding, W. Xue, Y.P. Ma, Z.C. Wang, S.G. He, J. Chem. Phys. 130, 014303 (2009)

    Article  CAS  PubMed  Google Scholar 

  25. J. Fan, L.-S. Wang, J. Chem. Phys. 102, 8714 (1995)

    Article  CAS  Google Scholar 

  26. M. Ju, J. Lv, X. Kuang, L. Ding, C. Lu, J. Wang, Y. Jin, G. Maroulis, RSC Adv. 5, 6560 (2015)

    Article  CAS  Google Scholar 

  27. Z. Li, Z. Zhou, Z. Zhao, Q. Wang, Int. J. Mod. Phys. B. 32, 1850187 (2018)

    Article  CAS  Google Scholar 

  28. A. Aguado, J.M. Lopez, J. Phys. Chem. B 104, 8398 (2001)

    Article  CAS  Google Scholar 

  29. Z. Li, Z. Zhao, Mater. Chem. Phys. 187, 54 (2017)

    Article  CAS  Google Scholar 

  30. X. Wang, H. Qin, Y. Chen, J. Hu, J. Phys. Chem. C 118, 28548 (2014)

    Article  CAS  Google Scholar 

  31. G.D. Price, S.L. Price, J.K. Burdett, Phys. Chem. Miner. 8, 69 (1982)

    Article  CAS  Google Scholar 

  32. V. Musat, O. Potecasu, R. Belea, P. Alexandru, Mater. Sci. Eng. B 167, 85 (2010)

    Article  CAS  Google Scholar 

  33. M.F. Gillies, R. Coehoorn, J.B.A. van Zon, D. Alders, J. Appl. Phys. 83, 6855 (1998)

    Article  CAS  Google Scholar 

  34. G.S. Shahane, K.V. Zipare, S.S. Bandgar, V.L. Mathe, J. Mater. Sci.: Mater. Electron. 28, 4146 (2017)

    CAS  Google Scholar 

  35. Q. Song, Z.J. Zhang, J. Am. Chem. Soc. 134, 10182 (2012)

    Article  CAS  PubMed  Google Scholar 

  36. R.C. Handley, Modern Magnetic Materials: Principles and Applications (Wiley, New York, 2000)

    Google Scholar 

Download references

Acknowledgements

We gratefully acknowledge the financial support from the Key Fund Project of the National Science Foundation, People’s Republic of China (Grant No. 51634004). It is also supported by the Doctoral Scientific Research Foundation of the Natural Science Foundation Guidance Plan of Liaoning Province (Grant No. 20180551213), the Natural Science Foundation Guidance Plan of Liaoning Province (Grant No. 201602399), Key Laboratory of Chemical Metallurgy Engineering Liaoning Province, University of Science and Technology LiaoNing (Grant No. USTLKFSY201711) and the Doctoral Scientific Research Foundation of Anshan Normal University (Grant No. 2015b04).

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Authors and Affiliations

  1. School of Materials and Metallurgy, University of Science and Technology Liaoning, PO Box 114051, Anshan, People’s Republic of China

    Zhi Li

  2. School of Chemistry and Life Science, Anshan Normal University, PO Box 114007, Anshan, People’s Republic of China

    Zhen Zhao

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  1. Zhi Li
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  2. Zhen Zhao
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Correspondence to Zhi Li.

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Li, Z., Zhao, Z. The reaction mechanism of a M (M = Mn, Fe, Co and Ni) atom inserted into a Fe8O12 cage. Res Chem Intermed 45, 833–843 (2019). https://doi.org/10.1007/s11164-018-3646-z

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  • DOI: https://doi.org/10.1007/s11164-018-3646-z

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