Dr Ieuan Seymour

Dr Ieuan Seymour
Dr Ieuan Seymour
Dr Ieuan Seymour

Lecturer

About
Research

Research Overview

My group focuses on developing combined experimental and computational tools for the discovery and characterisation of sustainable next-generation materials for energy applications, including rechargeable batteries and fuel cells. My group uses computational methods to understand the long timescale atomistic dynamics in the bulk and at the interfaces of energy materials, using techniques such as transition state searching and Monte Carlo methods. I also work on the development of novel cathode and solid-state electrolyte chemistries for Li and beyond Li-ion batteries with improved sustainability from materials synthesis to end of life.  

Research Specialisms

  • Inorganic Chemistry
  • Materials Science
  • Physical Chemistry

Our research specialisms are based on the Higher Education Classification of Subjects (HECoS) which is HESA open data, published under the Creative Commons Attribution 4.0 International licence.

Publications

Page 5 of 6 Results 41 to 50 of 52

  • Identifying the chemical and structural irreversibility in LiNi0.8Co0.15Al0.05O2-a model compound for classical layered intercalation

    Liu, H., Liu, H., Seymour, I. D., Chernova, N., Wiaderek, K. M., Trease, N. M., Hy, S., Chen, Y., An, K., Zhang, M., Borkiewicz, O. J., Lapidus, S. H., Qiu, B., Xia, Y., Liu, Z., Chupas, P. J., Chapman, K. W., Whittingham, M. S., Grey, C. P., Meng, Y. S.
    Journal of Materials Chemistry A, vol. 6, no. 9, pp. 4189-4198
    Contributions to Journals: Articles
  • Chapter 11: NMR Studies of Electrochemical Storage Materials

    Magusin, P. C., Seymour, I. D., Pecher, O., Grey, C. P.
    Modern Methods in Solid-state NMR: A Practitioner’s Guide. Hodgkinson, P. (ed.). 15 edition. Royal Society of Chemistry, pp. 322-355, 34 pages
    Chapters in Books, Reports and Conference Proceedings: Chapters
  • Unraveling the Complex Delithiation and Lithiation Mechanisms of the High Capacity Cathode Material V6O13

    Meng, W., Pigliapochi, R., Bayley, P. M., Pecher, O., Gaultois, M. W., Seymour, I. D., Liang, H. P., Xu, W., Wiaderek, K. M., Chapman, K. W., Grey, C. P.
    Chemistry of Materials, vol. 29, no. 13, pp. 5513-5524
    Contributions to Journals: Articles
  • DFT investigation of the effect of spin-orbit coupling on the NMR shifts in paramagnetic solids

    Pigliapochi, R., Pell, A. J., Seymour, I. D., Grey, C. P., Ceresoli, D., Kaupp, M.
    Physical Review B, vol. 95, no. 5, 054412
    Contributions to Journals: Articles
  • Identifying the distribution of Al3+ in LiNi0.8Co0.15Al0.05O2

    Trease, N. M., Seymour, I. D., Radin, M. D., Liu, H., Liu, H., Hy, S., Chernova, N., Parikh, P., Devaraj, A., Wiaderek, K. M., Chupas, P. J., Chapman, K. W., Whittingham, M. S., Meng, Y. S., Van Der Van, A., Grey, C. P.
    Chemistry of Materials, vol. 28, no. 22, pp. 8170-8180
    Contributions to Journals: Articles
  • Insights into the nature and evolution upon electrochemical cycling of planar defects in the β-NaMnO2 Na-ion battery cathode: An NMR and first-principles density functional theory approach

    Clément, R. J., Middlemiss, D. S., Seymour, I. D., Ilott, A. J., Grey, C. P.
    Chemistry of Materials, vol. 28, no. 22, pp. 8228-8239
    Contributions to Journals: Articles
  • A systematic study of 25Mg NMR in paramagnetic transition metal oxides: Applications to Mg-ion battery materials

    Lee, J., Seymour, I. D., Pell, A. J., Dutton, S. E., Grey, C. P.
    Physical Chemistry Chemical Physics, vol. 19, no. 1, pp. 613-625
    Contributions to Journals: Articles
  • Preventing Structural Rearrangements on Battery Cycling: A First-Principles Investigation of the Effect of Dopants on the Migration Barriers in Layered Li0.5MnO2

    Seymour, I. D., Wales, D. J., Grey, C. P.
    Journal of Physical Chemistry C, vol. 120, no. 35, pp. 19521-19530
    Contributions to Journals: Articles
  • Characterizing Oxygen Local Environments in Paramagnetic Battery Materials via 17O NMR and DFT Calculations

    Seymour, I. D., Middlemiss, D. S., Halat, D. M., Trease, N. M., Pell, A. J., Grey, C. P.
    Journal of the American Chemical Society, vol. 138, no. 30, pp. 9405-9408
    Contributions to Journals: Articles
  • Mapping Structural Changes in Electrode Materials: Application of the Hybrid Eigenvector-Following Density Functional Theory (DFT) Method to Layered Li0.5MnO2

    Seymour, I. D., Chakraborty, S., Middlemiss, D. S., Wales, D. J., Grey, C. P.
    Chemistry of Materials, vol. 27, no. 16, pp. 5550-5561
    Contributions to Journals: Articles
Show 10 | 25 | 50 | 100 results per page

Refine

Chapters in Books, Reports and Conference Proceedings

Contributions to Journals