Lecturer
- About
-
- Email Address
- ieuan.seymour@abdn.ac.uk
- School/Department
- School of Natural and Computing Sciences
- 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
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Page 3 of 6 Results 21 to 30 of 52
Structural origins of voltage mysteresis in the Na-Ion cathode P2-Na0.67[Mg0.28Mn0.72]O2: A combined spectroscopic and density functional theory study
Chemistry of Materials, vol. 33, no. 13, pp. 4890-4906Contributions to Journals: ArticlesIntrinsic dipole moments and electron transfer at MIEC-Gas Interfaces
Chapters in Books, Reports and Conference Proceedings: Conference Proceedings- [ONLINE] DOI: https://doi.org/10.1149/10301.0973ecst
- [ONLINE] View publication in Scopus
Vanadyl Phosphates AxVOPO4 (A = Li, Na, K) as Multielectron Cathodes for Alkali-Ion Batteries
Advanced Energy Materials, vol. 10, no. 47, 2002638Contributions to Journals: Articles- [ONLINE] DOI: https://doi.org/10.1002/aenm.202002638
- [ONLINE] View publication in Scopus
Structural and Electrochemical Consequences of Sodium in the Transition-Metal Layer of O′3-Na3Ni1.5TeO6
Chemistry of Materials, vol. 32, no. 23, pp. 10035-10044Contributions to Journals: Articles- [ONLINE] DOI: https://doi.org/10.1021/acs.chemmater.0c03248
- [ONLINE] View publication in Scopus
Metal chalcogenide hollow polar bipyramid prisms as efficient sulfur hosts for Na-S batteries
Nature Communications, vol. 11, no. 5242 , 5242Contributions to Journals: ArticlesPair-distribution-function guided optimization of fingerprints for atom-centered neural network potentials
The Journal of Chemical Physics, vol. 152, no. 22, pp. 224102Contributions to Journals: Articles- [ONLINE] DOI: https://doi.org/10.1063/5.0007391
- [ONLINE] View publication in Scopus
Intrinsic Kinetic Limitations in Substituted Lithium-Layered Transition-Metal Oxide Electrodes
Journal of the American Chemical Society, vol. 142, no. 15, pp. 7001-7011Contributions to Journals: Articles- [ONLINE] DOI: https://doi.org/10.1021/jacs.9b13551
- [ONLINE] View publication in Scopus
Evolution of lithium ordering with (de)-lithiation in β-LiVOPO4: Insights through solid-state NMR and first principles DFT calculations
Journal of Materials Chemistry A, vol. 8, no. 11, pp. 5546-5557Contributions to Journals: Articles- [ONLINE] DOI: https://doi.org/10.1039/d0ta00121j
- [ONLINE] View publication in Scopus
Electrochemical Properties of Three Li2Ni2TeO6 Structural Polymorphs
Chemistry of Materials, vol. 31, no. 22, pp. 9379-9388Contributions to Journals: Articles- [ONLINE] DOI: https://doi.org/10.1021/acs.chemmater.9b02956
- [ONLINE] View publication in Scopus
Ionic and Electronic Conduction in TiNb2O7
Journal of the American Chemical Society, vol. 141, no. 42, pp. 16706-16725Contributions to Journals: Articles