Publication Cover
Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 122, 2024 - Issue 4
94
Views
0
CrossRef citations to date
0
Altmetric
Research Article

Increasing the cell voltage of a magnesium ion battery with B24O24 anode through encapsulating halides: a DFT study

, &
Article: e2252107 | Received 15 Apr 2023, Accepted 18 Aug 2023, Published online: 30 Aug 2023

References

  • B. Dunn, H. Kamath, and J.-M. Tarascon, Science. 334, 928–935 (2011). doi:10.1126/science.1212741.
  • G.L. Soloveichik, Annu. Rev. Chem. Biomol. Eng. 2, 503–527 (2011). doi:10.1146/annurev-chembioeng-061010-114116.
  • F. Cheng, J. Liang, Z. Tao, and J. Chen, Adv. Mater. 23, 1695–1715 (2011). doi:10.1002/adma.201003587.
  • C. Liu, F. Li, M. Lai-Peng, and H.M. Cheng, Adv. Mater. 22, 28–62 (2010). doi:10.1002/adma.200903328.
  • F. Duffner, M. Wentker, M. Greenwood, and J. Leker, Renewable Sustainable Energy Rev. 127, 109872 (2020). doi:10.1016/j.rser.2020.109872.
  • R. Raccichini, A. Varzi, S. Passerini, and B. Scrosati, Nat Mater. 14, 271–279 (2015). doi:10.1038/nmat4170.
  • C. Chan, H. Peng, G. Liu, K. McIlwrath, X. Zhang, R. Huggins, and Y. Cui, Nat. Nanotechnol. 3, 31–35 (2007. doi:10.1038/nnano.2007.411.
  • D. Aurbach, G.S. Suresh, E. Levi, A. Mitelman, O. Mizrahi, O. Chusid, and M. Brunelli, Adv. Mater. 19, 4260–4267 (2007). doi:10.1002/adma.200701495.
  • C.B. Bucur, T. Gregory, and A.G. Oliver, J. Phys. Chem. Lett. 6, 3578–3591 (2015). doi:10.1021/acs.jpclett.5b01219.
  • P. Saha, M.K. Datta, O.I. Velikokhatnyi, A. Manivannan, D. Alman, and P.N. Kumta, Prog. Mater. Sci. 66, 1–86 (2014). doi:10.1016/j.pmatsci.2014.04.001.
  • C. Pei, F. Xiong, Y. Yin, Z. Liu, H. Tang, R. Sun, Q. An, and L. Mai, Small 17, 2004108 (2021). doi:10.1002/smll.202004108.
  • Z. Guo, S. Zhao, T. Li, D. Su, S. Guo, and G. Wang, Adv. Energy Mater. 10, 1903591 (2020). doi:10.1002/aenm.201903591.
  • Z. Ma, D.R. MacFarlane, and M. Kar, Batteries Supercaps 2, 115–127 (2019). doi:10.1002/batt.201800102.
  • C. Ma, X. Shao, and D. Cao, J. Mater. Chem. 22, 8911–8915 (2012). doi:10.1039/c2jm00166g.
  • J.B. Goodenough and K.S. Park, Chem. Inform. 44, 1–9 (2013).
  • A. Opitz, P. Badami, L. Shen, K. Vignarooban, and A.M. Kannan, Renewable Sustainable Energy Rev. 68, 685–692 (2017). doi:10.1016/j.rser.2016.10.019.
  • O. Heir, Mech. Eng. 139, 10 (2017).
  • R. Wang, W. Cui, F. Chu, and F. Wu, J. Energy Chem. 48, 145–159 (2020). doi:10.1016/j.jechem.2019.12.024.
  • Y. Meng, D. Wang, Y. Wei, K. Zhu, Y. Zhao, X. Bian, F. Du, B. Liu, Y. Gao, and G. Chen, J. Power Sources 346, 134–142 (2017). doi:10.1016/j.jpowsour.2017.02.033.
  • E. Shakerzadeh, J. Mater. Sci. Mater. Electron. 25, 4193–4199 (2014). doi:10.1007/s10854-014-2148-z.
  • A. Sibari, A. Marjaoui, M. Lakhal, Z. Kerrami, A. Kara, M. Benaissa, A. Ennaoui, M. Hamedoun, A. Benyoussef, and O. Mounkachi, Sol. Energy Mater. Sol. Cells 180, 253–257 (2018). doi:10.1016/j.solmat.2017.06.034.
  • Y. Shao, M. Gu, X. Li, Z. Nie, P. Zuo, G. Li, T. Liu, J. Xiao, Y. Cheng, and C. Wang, Nano Lett. 14, 255–260 (2014). doi:10.1021/nl403874y.
  • J. Lin, T. Yu, F. Han, and G. Yang, Wiley Interdiscip. Rev. Comput. Mol. Sci. 10, 1–19 (2020).
  • K.P. Hembram, H. Jung, B.C. Yeo, S.J. Pai, H.J. Lee, K.R. Lee, and S.S. Han, Phys. Chem. Chem. Phys. 18, 21391–21397 (2016). doi:10.1039/C6CP02049F.
  • N. Wu, Y.C. Lyu, R.J. Xiao, X. Yu, Y.X. Yin, X.Q. Yang, H. Li, L. Gu, and Y.G. Guo, NPG Asia Mater. 6, 120–126 (2014). doi:10.1038/am.2014.61.
  • S. Mukherjee and G. Singh, ACS Appl. Energy Mater. 2, 932–955 (2019). doi:10.1021/acsaem.8b00843.
  • Y. Wang, R. Chen, T. Chen, H. Lv, G. Zhu, L. Ma, C. Wang, and Z. Jin, Energy Storage Mater. 4, 103–129 (2016). doi:10.1016/j.ensm.2016.04.001.
  • X. Chen, S. Wang, and H. Wang, Electrochimica Acta. 265, 175–183 (2018). doi:10.1016/j.electacta.2018.01.148.
  • K. Nejati, A. Hosseinian, A. Bekhradnia, E. Vessally, and L. Edjlali, J. Mol. Graphics Modell. 74, 1–7 (2017). doi:10.1016/j.jmgm.2017.03.001.
  • H. Benzidi, M. Lakhal, M. Garara, M. Abdellaoui, A. Benyoussef, and O. Mounkachi, Phys. Chem. Chem. Phys. 21, 19951–19962 (2019). doi:10.1039/C9CP03230D.
  • N. Kosar, M. Asgar, K. Ayub, and T. Mahmood, Mater. Sci. Semicond. Process. 97, 71–79 (2019). doi:10.1016/j.mssp.2019.03.011.
  • Z.L. Tao, L.N. Xu, X.L. Gou, J. Chen, and H.T. Yuan, Chem. Commun. 1, 2080–2081 (2004). doi:10.1039/b403855j.
  • S.A. Aslanzadeh, Struct. Chem. 31, 1073–1078 (2020). doi:10.1007/s11224-019-01485-9.
  • Y. Liu, Z. Sun, K. Tan, D.K. Denis, J. Sun, L. Liang, L. Hou, and C. Yuan, J. Mate. Chem. A 7, 4353–4382 (2019). doi:10.1039/C8TA10258A.
  • J. Cho, S. Jeong, and Y. Kim, Prog. Energy Combust. Sci. 48, 84–101 (2015). doi:10.1016/j.pecs.2015.01.002.
  • W. Xu, J. Wang, F. Ding, X. Chen, E. Nasybulin, Y. Zhang, and J.G. Zhang, Energy Environ. Sci. 7, 513–537 (2014). doi:10.1039/C3EE40795K.
  • C. You, X. Wu, X. Yuan, Y. Chen, L. Liu, Y. Zhu, L. Fu, Y. Wu, Y.G. Guo, and T. van Ree, J. Mater. Chem. A 8, 25601–25625 (2020). doi:10.1039/D0TA09330K.
  • A. Kose, N. Yuksel, and M. Ferdi Fellah, Chem. Select. 7, 202202921 (2022).
  • E. Vessally, I. Alkorta, S. Ahmadi, R. Mohammadi, and A. Hosseinian, RSC Adv. 9, 853–862 (2019). doi:10.1039/C8RA06031B.
  • E. Shakerzadeh and F. Kazemimoghadam, Appl. Surf. Sci. 538, 148060 (2021). doi:10.1016/j.apsusc.2020.148060.
  • P. Panigrahi, S.B. Mishra, T. Hussain, B. Nanda, and R. Ahuja, ACS Appl. Nano Mater. 3, 9055–9063 (2020). doi:10.1021/acsanm.0c01747.
  • E. Shakerzadeh and L. Azizinia, Chem. Phys. Lett. 764, 138241 (2021). doi:10.1016/j.cplett.2020.138241.
  • E. Shakerzadeh, H. Mirzavand, and Z. Mahdavifar, Phys. E (Amsterdam, Neth.) 140, 115161 (2022). doi:10.1016/j.physe.2022.115161.
  • Y. Cao, S. Ahmai, A.G. Ebadi, N.Y. Xu, A. Issakhov, and M. Derakhshandeh, Inorg. Chem. Commun. 133, 108888 (2021). doi:10.1016/j.inoche.2021.108888.
  • Y. Zhao, A. Du, S. Dong, F. Jiang, Z. Guo, X. Ge, X. Qu, X. Zhou, and G. Cui, ACS Energy Lett. 6, 2594–2601 (2021). doi:10.1021/acsenergylett.1c01243.
  • Y. Mao and H. Soleymanabadi, J. Mol. Liq. 308, 113009 (2020). doi:10.1016/j.molliq.2020.113009.
  • R. Lv, X. Guan, J. Zhang, Y. Xia, and J. Luo, Natl. Sci. Rev. 7, 333–341 (2020). doi:10.1093/nsr/nwz157.
  • W. Jin and Z. Wang, Mater. Chem. Phys. 217, 388–392 (2018). doi:10.1016/j.matchemphys.2018.06.081.
  • X. Han, C. Liu, J. Sun, A.D. Sendek, and W. Yang, RSC Adv. 8, 7196–7204 (2018). doi:10.1039/C7RA12400G.
  • D.T. Nguyen and S.W. Song, J. Power Sources 368, 11–17 (2017). doi:10.1016/j.jpowsour.2017.09.054.
  • S. He, K.V. Nielson, J. Luo, and T.L. Liu, Energy Storage Mater. 8, 184–188 (2017). doi:10.1016/j.ensm.2016.12.001.
  • F. Murgia, E.T. Weldekidan, L. Stievano, L. Monconduit, and R. Berthelot, Electrochem. Commun. 60, 56–59 (2015). doi:10.1016/j.elecom.2015.08.007.
  • A. Benmayza, M. Ramanathan, N. Singh, F. Mizuno, and J. Prakash, J. Electrochem. Soc. 162, 1630 (2015). doi:10.1149/2.0841508jes.
  • F. Claeyssens, N.L. Allan, N.C. Norman, and C.A. Russell, Phys. Rev. B 82, 094119 (2010). doi:10.1103/PhysRevB.82.094119.
  • Z. Zhang, L. Pu, Q.s. Li, and R.B. King, Inorg. Chem. 54, 2910–2915 (2015). doi:10.1021/ic503036b.
  • Y. Liu, C. Liu, L. Pu, Z. Zhang, and R. King, Chem. Commun. 53, 3239–3241 (2017). doi:10.1039/C6CC09489A.
  • R. Gholami and M. Solimannejad, Struct. Chem. 34, 577–584 (2022). doi:10.1007/s11224-022-01998-w.
  • R. Gholami and M. Solimannejad, J. Mol. Model. 28, 1–9 (2022). doi:10.1007/s00894-022-05224-6.
  • B. Delley, J. Chem. Phys. 92, 508–517 (1990). doi:10.1063/1.458452.
  • B. Delley, J. Phys. Chem. 100, 6107–6110 (1996). doi:10.1021/jp952713n.
  • B. Delley, J. Chem. Phys. 113 (2000). doi:10.1063/1.1316015.
  • E. Kim, P.F. Weck, S. Berber, and D. Tománek, Phys. Rev. B 78, 113404 (2008). doi:10.1103/PhysRevB.78.113404.
  • J.P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. 77, 3865 (1996). doi:10.1103/PhysRevLett.77.3865.
  • R. Rahimi and M. Solimannejad, J. Mol. Model. 26, 1–8 (2020). doi:10.1007/s00894-020-04418-0.
  • J.S. Murray and P. Politzer. Wiley Interdiscip. Rev. Comput. Mol. Sci. 1, 153–163 (2011). doi:10.1002/wcms.19.
  • Y.S. Meng and M.E. Arroyo-de Dompablo, Energy Environ. Sci. E 2, 589–609 (2009). doi:10.1039/b901825e.
  • G.R. Vakili-Nezhaad, A.M. Gujarathi, N.A. Rawahi, and M. Mohammadi, Mater. Chem. Phys. 230, 114–121 (2019). doi:10.1016/j.matchemphys.2019.02.086.
  • R. Sivaraman, I. Patra, M.J.C. Opulencia, R. Sagban, H. Sharma, A.T. Jalil, and A.G. Ebadi, J. Electroanal. Chem. 917, 116413 (2022). doi:10.1016/j.jelechem.2022.116413.

Reprints and Corporate Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

To request a reprint or corporate permissions for this article, please click on the relevant link below:

Academic Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

Obtain permissions instantly via Rightslink by clicking on the button below:

If you are unable to obtain permissions via Rightslink, please complete and submit this Permissions form. For more information, please visit our Permissions help page.