Lecturer
- About
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- Email Address
- ieuan.seymour@abdn.ac.uk
- School/Department
- School of Natural and Computing Sciences
- Research
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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
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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
Journal of Materials Chemistry A, vol. 6, no. 9, pp. 4189-4198Contributions to Journals: Articles- [ONLINE] DOI: https://doi.org/10.1039/c7ta10829j
- [ONLINE] View publication in Scopus
Chapter 11: NMR Studies of Electrochemical Storage Materials
Modern Methods in Solid-state NMR: A Practitioner’s Guide. Hodgkinson, P. (ed.). 15 edition. Royal Society of Chemistry, pp. 322-355, 34 pagesChapters in Books, Reports and Conference Proceedings: ChaptersUnraveling the Complex Delithiation and Lithiation Mechanisms of the High Capacity Cathode Material V6O13
Chemistry of Materials, vol. 29, no. 13, pp. 5513-5524Contributions to Journals: Articles- [ONLINE] DOI: https://doi.org/10.1021/acs.chemmater.7b00428
- [ONLINE] View publication in Scopus
DFT investigation of the effect of spin-orbit coupling on the NMR shifts in paramagnetic solids
Physical Review B, vol. 95, no. 5, 054412Contributions to Journals: Articles- [ONLINE] DOI: https://doi.org/10.1103/PhysRevB.95.054412
- [ONLINE] View publication in Scopus
Identifying the distribution of Al3+ in LiNi0.8Co0.15Al0.05O2
Chemistry of Materials, vol. 28, no. 22, pp. 8170-8180Contributions to Journals: Articles- [ONLINE] DOI: https://doi.org/10.1021/acs.chemmater.6b02797
- [ONLINE] View publication in Scopus
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
Chemistry of Materials, vol. 28, no. 22, pp. 8228-8239Contributions to Journals: Articles- [ONLINE] DOI: https://doi.org/10.1021/acs.chemmater.6b03074
- [ONLINE] View publication in Scopus
A systematic study of 25Mg NMR in paramagnetic transition metal oxides: Applications to Mg-ion battery materials
Physical Chemistry Chemical Physics, vol. 19, no. 1, pp. 613-625Contributions to Journals: Articles- [ONLINE] DOI: https://doi.org/10.1039/c6cp06338a
- [ONLINE] View publication in Scopus
Preventing Structural Rearrangements on Battery Cycling: A First-Principles Investigation of the Effect of Dopants on the Migration Barriers in Layered Li0.5MnO2
Journal of Physical Chemistry C, vol. 120, no. 35, pp. 19521-19530Contributions to Journals: Articles- [ONLINE] DOI: https://doi.org/10.1021/acs.jpcc.6b05307
- [ONLINE] View publication in Scopus
Characterizing Oxygen Local Environments in Paramagnetic Battery Materials via 17O NMR and DFT Calculations
Journal of the American Chemical Society, vol. 138, no. 30, pp. 9405-9408Contributions to Journals: Articles- [ONLINE] DOI: https://doi.org/10.1021/jacs.6b05747
- [ONLINE] View publication in Scopus
Mapping Structural Changes in Electrode Materials: Application of the Hybrid Eigenvector-Following Density Functional Theory (DFT) Method to Layered Li0.5MnO2
Chemistry of Materials, vol. 27, no. 16, pp. 5550-5561Contributions to Journals: Articles- [ONLINE] DOI: https://doi.org/10.1021/acs.chemmater.5b01674
- [ONLINE] View publication in Scopus