Mn-Mo ferrites doped with rare earth element for enhancing EMI shielding: A DFT calculation and experimental comparison

doi:10.1016/j.jmst.2024.11.015

Abstract

Abstract: To develop advanced electromagnetic interference (EMI) shielding materials, Mn-Mo ferrites doped with Ce were investigated for their electric, dielectric, and magnetic properties. Using Density Functional Theory (DFT) calculation, the effect of doping different elements was evaluated in ferrite structures to optimize the performance of these ferrites. The calculated results revealed that the Mn-Mo ferrites which combined with Ce significantly lowered the bandgap and increased the total density of states (TDOS), leading to improved electrical conductivity. Additionally, the dielectric constant (ε') dielectric loss (ε'') and AC conductivity were found to be highest in the Mn-Mo-Ce-doped ferrites, contributing to superior EMI shielding effectiveness (SE), particularly in the low-frequency range. Mn-Mo-Ce doped ferrite was synthesized using auto-combustion method and evaluated for the EMI SE. The experimental and DFT calculated EMI SE both are close to 55 dB. This computational and experimental analysis, supported by structural and electronic localization function (ELF) mapping, underscores the potential of Mn-Mo-Ce-doped ferrites as highly efficient materials for EMI shielding in advanced electronic applications.

Key words: Density Functional Theory (DFT), Ferrites, Doping, Cerium, EMI shielding

HM Fayzan Shakir, Tingkai Zhao, M Umar Farooq, Abdul Jalil. Mn-Mo ferrites doped with rare earth element for enhancing EMI shielding: A DFT calculation and experimental comparison[J]. J. Mater. Sci. Technol., 2025, 224: 183-190.

References

[1] H.F. Shakir, T. Zhao, K. Zubair, M.K. Sarwar, Z.A. Rehan, K. Fatima, H.R. Aziz, Mater. Today Commun. 37 (2023) 106971.
[2] I.A.Rashid, A. Hamza, S. Asim, K.Zubair, H.M.F. Shakir, A. Afzal, Z. Zubair, Synth. Met. 295 (2023) 117339.
[3] Z. Zubair, M.S. Rizwan, F. Shehzadi, K. Shaker, F. Hussain, H.M. Fayzan, J. Mod, Polym. Chem. Mater. 2 (2023) 1-12.
[4] M. Zahid, M. Saeeda, N. Nadeem, H.M.F. Shakir, W.A. El-Saoud, O.A. Attala, K.A. Attia, Z.A. Rehan, Membranes 13 (2023) 144.
[5] S.S. Nimra, Z.A. Rehan, S.H. Ali, S. Atir, K. Fatima, F. Shahzadi, H.F. Shakir, M.A.Alamir, T.M.A.Ali EL-Bagory, I. Shahid, J. Mater. Res. Technol. 23 (2023) 2399-2409.
[6] I.A.Rashid, A. Tariq, H.F. Shakir, A. Afzal, F. Ali, M.Abuzar, T. Haider, J. Reinf. Plast. Compos. 41 (2022) 34-45.
[7] H.M.F.Shakir, A. Tariq, A.Afzal, I.A. Rashid, J. Mater. Sci.: Mater. Electron. 30 (2019) 17382-17392.
[8] M. Zahid, R. Anum, S. Siddique, H.M.F.Shakir, Z.A. Rehan, J. Thermoplast. Com-pos.Mater. 36 (2023) 1717.
[9] K. Zubair, H. Gulzar, A. Ashraf, M.F. Shakir, Y. Nawab, Z.A. Rehan, H. Gulzar, M.F. Shakir, Y. Nawab, Z.A. Rehan, Nano Express 2 (2021) 010038.
[10] M. Zahid, H.F. Shakir, Z.A. Rehan, J. Thermoplast. Compos.Mater. 36 (2023) 1489.
[11] H.M.F.Shakir, M. Shahzad, H.R. Aziz, M.S. Rizwan, S. Shahid, S.H. Ali, T. Zhao, J. Alloy. Compd. 902 (2022) 163847.
[12] A. Mansha, K. Zubair, Z.A. Rehan, H.M.F. Shakir, T. Javed, R. Shabbir, S.K. Mustafa, F. Mora-Poblete, J.-R. Zhou, U. Kumar, M.S. Al-Harbi, M.M. Has-san, Polymers 13 (2021) 1-12.
[13] M.F. Shakir, A. Tariq, Z.A.R.Yasir, N. Iqra, A.Rashid, A. Afzal, U. Hamid, SN Appl. Sci. 2 (2020) 706.
[14] H. Niu, X. Jiang, W. Li, Z. Min, B.R. Putra, W.T. Wahyuni, H. Wand, R. Zhang, B. Fan, Nano Res. 17 (2024) 1676-1686.
[15] H. Niu, X. Tu, S. Zhang, Y. Li, H. Wang, G. Shao, R. Zhang, H. Li, B. Zhao, B. Fan, Chem. Eng. J. 446 (2022) 137260.
[16] Y. Guo, K. Tan, X. Guo, H. Li, X. Jian, Nanotechnol. Rev. 12 (2023) 20220545.
[17] R.C. Che, L.-M. Peng, X.F. Duan, Q. Chen, X.L. Liang, Adv. Mater. 16 (2004) 401-405.
[18] Q. Liu, Q. Cao, H. Bi, C. Liang, K. Yuan, W. She, Y. Yang, R. Che, Adv. Mater. 28 (2016) 486-490.
[19] H. Sun, R. Che, X. You, Y. Jiang, Z. Yang, J. Deng, L. Qiu, H. Peng, Adv. Mater. 26 (2014) 8120-8125.
[20] S. Akhtar, A. Hussain, S. Noreen, N. Bibi, M. Bilal Tahir, J. Ur Rehman, Comput. Theor. Chem. 1235 (2024) 114546.
[21] S. Dhaka, A. Shukla, K.P. Garima, S. Kumar, Solid State Commun. 382 (2024) 115459.
[22] Y. Shu, T. Zhao, X. Li, abdul Jalil, L. Yang, G. Feng, Y. Li, W. Jia, F. Luo, Carbon 213 (2023) 118278.
[23] Y. Shu, T. Zhao, Y. Li, L. Yang, X. Li, G. Feng, W. Jia, F. Luo, Appl. Surf. Sci. 626 (2023) 157223.
[24] Y. Shu, T. Zhao, W. Jia, L. Yang, X. Li, G. Feng, Y. Li, F. Luo, J. Colloid Interface Sci. 642 (2023) 393-407.
[25] Y. Shu, T. Zhao, X. Li, A. Jalil, L. Yang, G. Feng, Y. Li, W. Jia, F. Luo, Carbon 213 (2023) 118278.
[26] A. Kanwal, A. Jalil, S.Z. Ilyas, S. Ahmed, S. Agathopoulos, S. Znaidia, J. Phys. Chem. Solids 162 (2022) 110429.
[27] S. Arshad, A. Hussain, S. Noreen, N. Bibi, M.B. Tahir, J.U. Rehman, M. Jabeen, H.B. Munawar, S. Rahman, J. Solid State Chem. 330 (2024) 124504.
[28] T. Galloway, M. Cole, C. Lewis, J. Clean Prod. 12 (2013) 711-723.
[29] P.J. Bora, A.G. Anil, P.C. Ramamurthy, D.Q. Tan, Mater. Adv. 1 (2020) 177-183.
[30] C. Fang, Z. Yan, X. Zhang, J. Xiao, F. Wang, X. Xu, J. Magn. Magn.Mater. 609 (2024) 172492.
[31] C. Fang, Z. Yan, X. Zhang, J. Xiao, F. Wang, X. Xu, J. Rare Earths (2024), doi: 10.1016/j.jre.2024.10.006
[32] C. Fang, Z. Yan, X.J. Zhang, F. Wang, X.H. Xu, Rare Metals (2024), doi: 10.1007/s12598-024-02983-4
[33] S. Clark, M. Segall, C. Pickard, P. Hasnip, M. Probert, K. Refson, M. Payne, Zeitschrift Für Kristallographie 220 (2005) 567.
[34] Md.A. Rahman, K. Mousumi, Md.L. Ali, R. khatun, Md.Z. Rahman, S. Sahriar Hasan, W. Hasan, Md. Rasheduzzaman, Md.Z. Hasan, Results Phys. 44 (2023) 106141.
[35] M.D. Segall, P.J.D. Lindan, M.J. Probert, C.J. Pickard, P.J. Hasnip, S.J. Clark, M.C. Payne, J. Phys.: Condens. Matter 14 (2002) 2717.
[36] J.P. Perdew, A. Ruzsinszky, G.I. Csonka, O.A. Vydrov, G.E. Scuseria, L.A.Con-stantin, X.Zhou, K. Burke, Phys. Rev. Lett. 100 (2008) 136406.
[37] H.J. Monkhorst, J.D. Pack, Phys. Rev. B 13 (1976) 5188-5192.
[38] B.G. Pfrommer, M. Cote, S.G. Louie, M.L. Cohen, J. Comput. Phys. 131 (1997) 233-240.
[39] Y. Wang, L. Yao, Q. Zheng, M.-S. Cao, Nano Res. 15 (2022) 6751-6760.
[40] S. Noreen, A. Hussain, Chin. J. Phys. 86 (2023) 647-660.
[41] S. Noreen, A. Hussain, M.B. Tahir, A.B. Ziya, J.U. Rehman, M. Usman, S.A. Khan, S. Akhtar, Opt. Mater. 133 (2022) 112930.
[42] Z. Li, Y. Shen, Y. Zhou, B. Zhou, C. Liu, Y. Feng, J. Mater. Sci.Technol. 197 (2024) 9-16.
[43] C. Liu, C. Jiang, Y. Shen, B. Zhou, C. Liu, Y. Feng, ACS Appl. Mater. Interfaces 16 (2024) 38620-38630.
[44] W. Zhao, J. Dong, Z. Li, B. Zhou, C. Liu, Y. Feng, Adv. Sci. 11 (2024) 2406758.

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