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Dr Ieuan Seymour

Dr Ieuan Seymour
Dr Ieuan Seymour
Dr Ieuan Seymour

Lecturer

About
Email Address
ieuan.seymour@abdn.ac.uk
School/Department
School of Natural and Computing Sciences
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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 2 of 3 Results 26 to 50 of 52

  • Pair-distribution-function guided optimization of fingerprints for atom-centered neural network potentials

    Li, L., Li, H., Seymour, I. D., Koziol, L., Henkelman, G.
    The Journal of Chemical Physics, vol. 152, no. 22, pp. 224102
    Contributions to Journals: Articles

  • Intrinsic Kinetic Limitations in Substituted Lithium-Layered Transition-Metal Oxide Electrodes

    Grenier, A., Reeves, P. J., Liu, H., Seymour, I. D., Märker, K., Wiaderek, K. M., Chupas, P. J., Grey, C. P., Chapman, K. W.
    Journal of the American Chemical Society, vol. 142, no. 15, pp. 7001-7011
    Contributions to Journals: Articles

  • Evolution of lithium ordering with (de)-lithiation in β-LiVOPO4: Insights through solid-state NMR and first principles DFT calculations

    Britto, S., Seymour, I. D., Halat, D. M., Hidalgo, M. F., Siu, C., Reeves, P. J., Zhou, H., Chernova, N. A., Whittingham, M. S., Grey, C. P.
    Journal of Materials Chemistry A, vol. 8, no. 11, pp. 5546-5557
    Contributions to Journals: Articles

  • Electrochemical Properties of Three Li2Ni2TeO6 Structural Polymorphs

    Grundish, N. S., Seymour, I. D., Henkelman, G., Goodenough, J. B.
    Chemistry of Materials, vol. 31, no. 22, pp. 9379-9388
    Contributions to Journals: Articles

  • Ionic and Electronic Conduction in TiNb2O7

    Griffith, K. J., Seymour, I. D., Hope, M. A., Butala, M. M., Lamontagne, L. K., Preefer, M. B., Koçer, C. P., Henkelman, G., Morris, A. J., Cliffe, M. J., Dutton, S. E., Grey, C. P.
    Journal of the American Chemical Society, vol. 141, no. 42, pp. 16706-16725
    Contributions to Journals: Articles

  • Vanadium(III) Acetylacetonate as an Efficient Soluble Catalyst for Lithium–Oxygen Batteries

    Zhao, Q., Katyal, N., Seymour, I. D., Henkelman, G., Ma, T.
    Angewandte Chemie - International Edition, vol. 58, no. 36, pp. 12553-12557
    Contributions to Journals: Articles

  • Short-range ordering in a battery electrode, the 'cation-disordered' rocksalt Li1.25Nb0.25Mn0.5O2

    Jones, M. A., Reeves, P. J., Seymour, I. D., Cliffe, M. J., Dutton, S. E., Grey, C. P.
    Chemical Communications, vol. 55, no. 61, pp. 9027-9030
    Contributions to Journals: Articles

  • A high-performance solid-state synthesized LiVOPO4 for lithium-ion batteries

    Shi, Y., Zhou, H., Britto, S., Seymour, I. D., Wiaderek, K. M., Omenya, F., Chernova, N. A., Chapman, K. W., Grey, C. P., Whittingham, M. S.
    Electrochemistry Communications, vol. 105, 106491
    Contributions to Journals: Articles

  • Characterizing the Structure and Phase Transition of Li2RuO3 Using Variable-Temperature 17O and 7Li NMR Spectroscopy

    Reeves, P. J., Seymour, I. D., Griffith, K. J., Grey, C. P.
    Chemistry of Materials, vol. 31, no. 8, pp. 2814-2821
    Contributions to Journals: Articles

  • Na 3 MnZr(PO 4 ) 3: A High-Voltage Cathode for Sodium Batteries

    Gao, H., Seymour, I. D., Xin, S., Xue, L., Henkelman, G., Goodenough, J. B.
    Journal of the American Chemical Society, vol. 140, no. 51, pp. 18192-18199
    Contributions to Journals: Articles

  • An ab initio investigation on the electronic structure, defect energetics, and magnesium kinetics in Mg3Bi2

    Lee, J., Monserrat, B., Seymour, I. D., Liu, Z., Dutton, S. E., Grey, C. P.
    Journal of Materials Chemistry A, vol. 6, no. 35, pp. 16983-16991
    Contributions to Journals: Articles

  • Mixed X-site formate–hypophosphite hybrid perovskites

    Wu, Y., Halat, D. M., Wei, F., Binford, T., Seymour, I. D., Gaultois, M. W., Shaker, S., Wang, J., Grey, C. P., Cheetham, A. K.
    Chemistry - A European Journal, vol. 24, no. 44, pp. 11309-11313
    Contributions to Journals: Articles

  • Electrochemical Performance of Nanosized Disordered LiVOPO4

    Shi, Y., Zhou, H., Seymour, I. D., Britto, S., Rana, J., Wangoh, L. W., Huang, Y., Yin, Q., Reeves, P. J., Zuba, M., Chung, Y., Omenya, F., Chernova, N. A., Zhou, G., Piper, L. F., Grey, C. P., Whittingham, M. S.
    ACS Omega, vol. 3, no. 7, pp. 7310-7323
    Contributions to Journals: Articles

  • Enabling multi-electron reaction of ε-VOPO4 to reach theoretical capacity for lithium-ion batteries

    Siu, C., Seymour, I. D., Britto, S., Zhang, H., Rana, J., Feng, J., Omenya, F. O., Zhou, H., Chernova, N. A., Zhou, G., Grey, C. P., Piper, L. F., Whittingham, M. S.
    Chemical Communications, vol. 54, no. 56, pp. 7802-7805
    Contributions to Journals: Articles

  • Structural Characterization of the Li-Ion Battery Cathode Materials LiTixMn2-xO4 (0.2 ≤ x ≤ 1.5): A Combined Experimental 7Li NMR and First-Principles Study

    Pigliapochi, R., Seymour, I. D., Merlet, C., Pell, A. J., Murphy, D. T., Schmid, S., Grey, C. P.
    Chemistry of Materials, vol. 30, pp. 817-829
    Contributions to Journals: Articles

  • 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
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