Dr Ieuan Seymour | People | The University of Aberdeen

Dr Ieuan Seymour

Lecturer

About

School/Department: School of Natural and Computing Sciences

Publications

Page 1 of 1 Results 1 to 46 of 46

Superstructure and Correlated Na+ Hopping in a Layered Mg-Substituted Sodium Manganate Battery Cathode are Driven by Local Electroneutrality
2023 - Published
Bassey, E. N., Seymour, I. D., Bocarsly, J. D., Keen, D. A., Pintacuda, G., Grey, C. P.
Chemistry of Materials, vol. 35, no. 24, pp. 10564-10583
Contributions to Journals: Articles
- [ONLINE] DOI: https://doi.org/10.1021/acs.chemmater.3c02180
- [OPEN ACCESS] http://aura.abdn.ac.uk/bitstream/2164/22685/1/Bassey_etal_CM_Superstructure_And_Correlated_VoR.pdf
Synergistic Degradation Mechanism in Single Crystal Ni-Rich NMC//Graphite Cells
2023 - Published
Páez Fajardo, G. J., Fiamegkou, E., Gott, J. A., Wang, H., Temprano, I., Seymour, I. D., Ogley, M. J. W., Menon, A. S., Stephens, I. E. L., Ans, M., Lee, T., Thakur, P. K., Dose, W. M., De Volder, M. F. L., Grey, C. P., Piper, L. F. J.
ACS Energy Lett., vol. 8, no. 12, pp. 5025-5031
Contributions to Journals: Articles
- [ONLINE] DOI: https://doi.org/10.1021/acsenergylett.3c01596
- [OPEN ACCESS] http://aura.abdn.ac.uk/bitstream/2164/22221/1/Paez_etal_ASAP_Synergistic_Degradation_Mechanism_VoR.pdf
Understanding and Engineering Interfacial Adhesion in Solid-State Batteries with Metallic Anodes
2023 - Published
Seymour, I. D., Quérel, E., Brugge, R. H., Pesci, F. M., Aguadero, A.
ChemSusChem, vol. 16, no. 12, e202202215
Contributions to Journals: Review articles
- [ONLINE] DOI: https://doi.org/10.1002/cssc.202202215
- [OPEN ACCESS] http://aura.abdn.ac.uk/bitstream/2164/21539/1/Seymour_etal_CSC_Understainding_and_Engineering_VOR.pdf
- [ONLINE] View publication in Scopus
Application of finite Gaussian process distribution of relaxation times on SOFC electrodes
2023 - Published
Williams, N. J., Osborne, C., Seymour, I. D., Bazant, M. Z., Skinner, S. J.
Electrochemistry Communications, vol. 149, 107458
Contributions to Journals: Articles
- [ONLINE] DOI: https://doi.org/10.1016/j.elecom.2023.107458
- [OPEN ACCESS] http://aura.abdn.ac.uk/bitstream/2164/20948/1/Williams_etal_EC_Application_of_Finite_VOR.pdf
- [ONLINE] View publication in Scopus
Operando Characterization and Theoretical Modeling of Metal|Electrolyte Interphase Growth Kinetics in Solid-State Batteries.: Part I: Experiments
2023 - Published
Quérel, E., Williams, N. J., Seymour, I. D., Skinner, S. J., Aguadero, A.
Chemistry of Materials, vol. 35, no. 3, pp. 853-862
Contributions to Journals: Articles
- [ONLINE] DOI: https://doi.org/10.1021/acs.chemmater.2c03130
- [OPEN ACCESS] http://aura.abdn.ac.uk/bitstream/2164/21057/1/Querel_etal_CM_Operando_Characterization_And_VOR.pdf
- [ONLINE] View publication in Scopus
Operando Characterization and Theoretical Modeling of Metal|Electrolyte Interphase Growth Kinetics in Solid-State Batteries. Part II: Modeling
2023 - Published
Williams, N. J., Quérel, E., Seymour, I. D., Skinner, S. J., Aguadero, A.
Chemistry of Materials, vol. 35, no. 3, pp. 863-869
Contributions to Journals: Articles
- [ONLINE] DOI: https://doi.org/10.1021/acs.chemmater.2c03131
- [OPEN ACCESS] http://aura.abdn.ac.uk/bitstream/2164/21059/1/Williams_etal_CM_Operando_Characterization_and_VOR.pdf
- [ONLINE] View publication in Scopus
¹⁷O NMR Spectroscopy in Lithium-Ion Battery Cathode Materials: Challenges and Interpretation
2022 - Published
Bassey, E. N., Reeves, P. J., Seymour, I. D., Grey, C. P.
Journal of the American Chemical Society, vol. 144, no. 41, pp. 18714-18729
Contributions to Journals: Review articles
- [ONLINE] DOI: https://doi.org/10.1021/jacs.2c02927
- [OPEN ACCESS] http://aura.abdn.ac.uk/bitstream/2164/21573/1/Bassey_etal_JACS_ONMR_Spectroscopy_in_Lithium_VOR.pdf
- [ONLINE] View publication in Scopus
Electric Fields and Charge Separation for Solid Oxide Fuel Cell Electrodes
2022 - Published
Williams, N. J., Seymour, I. D., Fraggedakis, D., Skinner, S. J.
Nano Letters, vol. 22, no. 18, pp. 7515-7521
Contributions to Journals: Articles
- [ONLINE] DOI: https://doi.org/10.1021/acs.nanolett.2c02468
- [OPEN ACCESS] http://aura.abdn.ac.uk/bitstream/2164/20832/1/Williams_etal_NL_ElectricFields_VOR.pdf
- [ONLINE] View publication in Scopus
Non-equilibrium thermodynamics of mixed ionic-electronic conductive electrodes and their interfaces: a Ni/CGO study
2022 - Published
Williams, N. J., Seymour, I. D., Leah, R. T., Banerjee, A., Mukerjee, S., Skinner, S. J.
Journal of Materials Chemistry A, vol. 10, no. 20, pp. 11121-11130
Contributions to Journals: Articles
- [ONLINE] DOI: https://doi.org/10.1039/d1ta07351f
- [OPEN ACCESS] http://aura.abdn.ac.uk/bitstream/2164/20838/1/Williams_etal_JMCA_NonequilibriumThermodynamicsofMixed_VOR.pdf
- [ONLINE] View publication in Scopus
Disrupting Sodium Ordering and Phase Transitions in a Layered Oxide Cathode
2022 - Published
Grundish, N. S., Lyu, H., Seymour, I. D., Henkelman, G., Khani, H.
Journal of the Electrochemical Society, vol. 169, no. 4, 040504
Contributions to Journals: Articles
- [ONLINE] DOI: https://doi.org/10.1149/1945-7111/ac60eb
- [ONLINE] View publication in Scopus
Fast Redox Kinetics in SrCo_1-xSb_xO_{3- δ}Perovskites for Thermochemical Energy Storage
2022 - Published
Wilson, G. E., Seymour, I. D., Cavallaro, A., Skinner, S. J., Aguadero, A.
Journal of the Electrochemical Society, vol. 169, no. 4, 044509
Contributions to Journals: Articles
- [ONLINE] DOI: https://doi.org/10.1149/1945-7111/ac62c5
- [OPEN ACCESS] http://aura.abdn.ac.uk/bitstream/2164/20867/1/Wilson_etal_JECS_FastRedoxKinetics_VOR.pdf
- [ONLINE] View publication in Scopus
The role of NaSICON surface chemistry in stabilizing fast-charging Na metal solid-state batteries
2021 - Published
Quérel, E., Seymour, I. D., Cavallaro, A., Ma, Q., Tietz, F., Aguadero, A.
JPhys Energy , vol. 3, no. 4, 044007
Contributions to Journals: Articles
- [ONLINE] DOI: https://doi.org/10.1088/2515-7655/ac2fb3
- [OPEN ACCESS] http://aura.abdn.ac.uk/bitstream/2164/21104/1/Qu_rel_JPE_The_Role_Of_VOR.pdf
- [ONLINE] View publication in Scopus
Suppressing void formation in all-solid-state batteries: The role of interfacial adhesion on alkali metal vacancy transport
2021 - Published
Seymour, I. D., Aguadero, A.
Journal of Materials Chemistry A, vol. 9, no. 35, pp. 19901-19913
Contributions to Journals: Articles
- [ONLINE] DOI: https://doi.org/10.1039/d1ta03254b
- [OPEN ACCESS] http://aura.abdn.ac.uk/bitstream/2164/21128/1/Seymour_etal_JMC_Suppressing_Void_Formation_VOR.pdf
- [ONLINE] View publication in Scopus
Theory of the electrostatic surface potential and intrinsic dipole moments at the mixed ionic electronic conductor (MIEC)-gas interface
2021 - Published
Williams, N. J., Seymour, I. D., Leah, R. T., Mukerjee, S., Selby, M., Skinner, S. J.
Physical Chemistry Chemical Physics, vol. 23, no. 27, pp. 14569-14579
Contributions to Journals: Articles
- [ONLINE] DOI: https://doi.org/10.1039/d1cp01639c
- [OPEN ACCESS] http://aura.abdn.ac.uk/bitstream/2164/21111/1/William_Etal_PCP_Theory_of_the_VOR.pdf
- [ONLINE] View publication in Scopus
Structural origins of voltage mysteresis in the Na-Ion cathode P2-Na_0.67[Mg_0.28Mn_0.72]O₂: A combined spectroscopic and density functional theory study
2021 - Published
Bassey, E. N., Reeves, P. J., Jones, M. A., Lee, J., Seymour, I. D., Cibin, G., Grey, C. P.
Chemistry of Materials, vol. 33, no. 13, pp. 4890-4906
Contributions to Journals: Articles
- [ONLINE] DOI: https://doi.org/10.1021/acs.chemmater.1c00248
- [OPEN ACCESS] http://aura.abdn.ac.uk/bitstream/2164/21121/1/Bassey_etal_CM_Structural_Origins_Of_VOR.pdf
- [ONLINE] View publication in Scopus
Intrinsic dipole moments and electron transfer at MIEC-Gas Interfaces
2021 - Published
Williams, N. J., Seymour, I. D., Leah, R. T., Mukerjee, S., Selby, M., Skinner, S. J.
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 A_xVOPO₄ (A = Li, Na, K) as Multielectron Cathodes for Alkali-Ion Batteries
2020 - Published
Chernova, N. A., Hidalgo, M. F. V., Kaplan, C., Lee, K., Buyuker, I., Siu, C., Wen, B., Ding, J., Zuba, M., Wiaderek, K. M., Seymour, I. D., Britto, S., Piper, L. F., Ong, S. P., Chapman, K. W., Grey, C. P., Whittingham, M. S.
Advanced Energy Materials, vol. 10, no. 47, 2002638
Contributions to Journals: Review 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-Na₃Ni_1.5TeO₆
2020 - Published
Grundish, N. S., Seymour, I. D., Li, Y., Sand, J. B., Henkelman, G., Delmas, C., Goodenough, J. B.
Chemistry of Materials, vol. 32, no. 23, pp. 10035-10044
Contributions 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
2020 - Published
Aslam, M. K., Seymour, I. D., Katyal, N., Li, S., Yang, T., Bao, S. j., Henkelman, G., Xu, M.
Nature Communications, vol. 11, no. 5242 , 5242
Contributions to Journals: Articles
- [ONLINE] DOI: https://doi.org/10.1038/s41467-020-19078-0
- [OPEN ACCESS] http://aura.abdn.ac.uk/bitstream/2164/23276/1/Aslam_etal_Metal_chalcogenide_hollow_VoR.pdf
- [ONLINE] View publication in Scopus
Pair-distribution-function guided optimization of fingerprints for atom-centered neural network potentials
2020 - Published
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
- [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
2020 - Published
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
- [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
2020 - Published
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
- [ONLINE] DOI: https://doi.org/10.1039/d0ta00121j
- [ONLINE] View publication in Scopus
Electrochemical Properties of Three Li₂Ni₂TeO₆ Structural Polymorphs
2019 - Published
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
- [ONLINE] DOI: https://doi.org/10.1021/acs.chemmater.9b02956
- [ONLINE] View publication in Scopus
Ionic and Electronic Conduction in TiNb₂O₇
2019 - Published
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
- [ONLINE] DOI: https://doi.org/10.1021/jacs.9b06669
- [OPEN ACCESS] http://aura.abdn.ac.uk/bitstream/2164/23259/1/Griffith_etal_JACS_Ionic_Electronic_Conduction_VOR.pdf
- [ONLINE] View publication in Scopus
Vanadium(III) Acetylacetonate as an Efficient Soluble Catalyst for Lithium–Oxygen Batteries
2019 - Published
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
- [ONLINE] DOI: https://doi.org/10.1002/anie.201907477
- [ONLINE] View publication in Scopus
Short-range ordering in a battery electrode, the 'cation-disordered' rocksalt Li_1.25Nb_0.25Mn_0.5O₂
2019 - Published
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
- [ONLINE] DOI: https://doi.org/10.1039/c9cc04250d
- [ONLINE] View publication in Scopus
A high-performance solid-state synthesized LiVOPO₄ for lithium-ion batteries
2019 - Published
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
- [ONLINE] DOI: https://doi.org/10.1016/j.elecom.2019.106491
- [OPEN ACCESS] http://aura.abdn.ac.uk/bitstream/2164/22954/1/Shi_EC_high-performancesolid-statesynthesized_VOR.pdf
- [ONLINE] View publication in Scopus
Characterizing the Structure and Phase Transition of Li₂RuO₃ Using Variable-Temperature ¹⁷O and ⁷Li NMR Spectroscopy
2019 - Published
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
- [ONLINE] DOI: https://doi.org/10.1021/acs.chemmater.8b05178
- [ONLINE] View publication in Scopus
Na ₃ MnZr(PO ₄ ) ₃: A High-Voltage Cathode for Sodium Batteries
2018 - Published
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
- [ONLINE] DOI: https://doi.org/10.1021/jacs.8b11388
- [ONLINE] View publication in Scopus
An ab initio investigation on the electronic structure, defect energetics, and magnesium kinetics in Mg3Bi2
2018 - Published
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
- [ONLINE] DOI: https://doi.org/10.1039/c7ta11181a
- [OPEN ACCESS] http://aura.abdn.ac.uk/bitstream/2164/22995/1/Lee_etal_JMCA_An_ab_initio_investigation_VoR.pdf
- [ONLINE] View publication in Scopus
Mixed X-site formate–hypophosphite hybrid perovskites
2018 - Published
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
- [ONLINE] DOI: https://doi.org/10.1002/chem.201803061
- [ONLINE] View publication in Scopus
Electrochemical Performance of Nanosized Disordered LiVOPO₄
2018 - Published
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
- [ONLINE] DOI: https://doi.org/10.1021/acsomega.8b00763
- [ONLINE] View publication in Scopus
Enabling multi-electron reaction of ε-VOPO₄ to reach theoretical capacity for lithium-ion batteries
2018 - Published
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
- [ONLINE] DOI: https://doi.org/10.1039/c8cc02386g
- [ONLINE] View publication in Scopus
Structural Characterization of the Li-Ion Battery Cathode Materials LiTi_xMn_2-xO₄ (0.2 ≤ x ≤ 1.5): A Combined Experimental 7Li NMR and First-Principles Study
2018 - Published
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
- [ONLINE] DOI: https://doi.org/10.1021/acs.chemmater.7b04314
- [OPEN ACCESS] http://aura.abdn.ac.uk/bitstream/2164/23126/1/Pigliapochi_etal_CM_Structural_Characterization_of_VoR.pdf
- [ONLINE] View publication in Scopus
Identifying the chemical and structural irreversibility in LiNi_0.8Co_0.15Al_0.05O₂-a model compound for classical layered intercalation
2018 - Published
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
- [ONLINE] DOI: https://doi.org/10.1039/c7ta10829j
- [ONLINE] View publication in Scopus
Chapter 11: NMR Studies of Electrochemical Storage Materials
2018 - Published
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
- [ONLINE] https://books.rsc.org/books/edited-volume/690/chapter-abstract/394180/NMR-Studies-of-Electrochemical-Storage-Materials?redirectedFrom=fulltext
- [ONLINE] View publication in Scopus
Unraveling the Complex Delithiation and Lithiation Mechanisms of the High Capacity Cathode Material V₆O₁₃
2017 - Published
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
- [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
2017 - Published
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
- [ONLINE] DOI: https://doi.org/10.1103/PhysRevB.95.054412
- [ONLINE] View publication in Scopus
Identifying the distribution of Al³⁺ in LiNi_0.8Co_0.15Al_0.05O₂
2016 - Published
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
- [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
2016 - Published
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
- [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
2016 - Published
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
- [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 Li_0.5MnO₂
2016 - Published
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
- [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
2016 - Published
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
- [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 Li_0.5MnO₂
2015 - Published
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
- [ONLINE] DOI: https://doi.org/10.1021/acs.chemmater.5b01674
- [ONLINE] View publication in Scopus
Anisotropic oxygen diffusion in PrBaCo ₂O _5.5 double perovskites
2012 - Published
Seymour, I. D., Tarancón, A., Chroneos, A., Parfitt, D., Kilner, J. A., Grimes, R. W.
Solid State Ionics, vol. 216, pp. 41-43
Contributions to Journals: Articles
- [ONLINE] DOI: https://doi.org/10.1016/j.ssi.2011.09.002
- [ONLINE] View publication in Scopus
Defect processes in orthorhombic LnBaCo₂O_5.5 double perovskites
2011 - Published
Seymour, I. D., Chroneos, A., Kilner, J. A., Grimes, R. W.
Physical Chemistry Chemical Physics, vol. 13, no. 33, pp. 15305-15310
Contributions to Journals: Articles
- [ONLINE] DOI: https://doi.org/10.1039/c1cp21471c
- [ONLINE] View publication in Scopus

Refine

Chapters in Books, Reports and Conference Proceedings

Chapters (1)

Conference Proceedings (1)

Contributions to Journals

Articles (41)

Review articles (3)

Update

Superstructure and Correlated Na+ Hopping in a Layered Mg-Substituted Sodium Manganate Battery Cathode are Driven by Local Electroneutrality

Synergistic Degradation Mechanism in Single Crystal Ni-Rich NMC//Graphite Cells

Understanding and Engineering Interfacial Adhesion in Solid-State Batteries with Metallic Anodes

Application of finite Gaussian process distribution of relaxation times on SOFC electrodes

Operando Characterization and Theoretical Modeling of Metal|Electrolyte Interphase Growth Kinetics in Solid-State Batteries.: Part I: Experiments

Operando Characterization and Theoretical Modeling of Metal|Electrolyte Interphase Growth Kinetics in Solid-State Batteries. Part II: Modeling

17O NMR Spectroscopy in Lithium-Ion Battery Cathode Materials: Challenges and Interpretation

Electric Fields and Charge Separation for Solid Oxide Fuel Cell Electrodes

Non-equilibrium thermodynamics of mixed ionic-electronic conductive electrodes and their interfaces: a Ni/CGO study

Disrupting Sodium Ordering and Phase Transitions in a Layered Oxide Cathode

Fast Redox Kinetics in SrCo1-xSbxO3- δ Perovskites for Thermochemical Energy Storage

The role of NaSICON surface chemistry in stabilizing fast-charging Na metal solid-state batteries

Suppressing void formation in all-solid-state batteries: The role of interfacial adhesion on alkali metal vacancy transport

Theory of the electrostatic surface potential and intrinsic dipole moments at the mixed ionic electronic conductor (MIEC)-gas interface

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

Intrinsic dipole moments and electron transfer at MIEC-Gas Interfaces

Vanadyl Phosphates AxVOPO4 (A = Li, Na, K) as Multielectron Cathodes for Alkali-Ion Batteries

Structural and Electrochemical Consequences of Sodium in the Transition-Metal Layer of O′3-Na3Ni1.5TeO6

Metal chalcogenide hollow polar bipyramid prisms as efficient sulfur hosts for Na-S batteries

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

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

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

Electrochemical Properties of Three Li2Ni2TeO6 Structural Polymorphs

Ionic and Electronic Conduction in TiNb2O7

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

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

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

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

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

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

Mixed X-site formate–hypophosphite hybrid perovskites

Electrochemical Performance of Nanosized Disordered LiVOPO4

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

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

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

Chapter 11: NMR Studies of Electrochemical Storage Materials

Unraveling the Complex Delithiation and Lithiation Mechanisms of the High Capacity Cathode Material V6O13

DFT investigation of the effect of spin-orbit coupling on the NMR shifts in paramagnetic solids

Identifying the distribution of Al3+ in LiNi0.8Co0.15Al0.05O2

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

A systematic study of 25Mg NMR in paramagnetic transition metal oxides: Applications to Mg-ion battery materials

Preventing Structural Rearrangements on Battery Cycling: A First-Principles Investigation of the Effect of Dopants on the Migration Barriers in Layered Li0.5MnO2

Characterizing Oxygen Local Environments in Paramagnetic Battery Materials via 17O NMR and DFT Calculations

Mapping Structural Changes in Electrode Materials: Application of the Hybrid Eigenvector-Following Density Functional Theory (DFT) Method to Layered Li0.5MnO2

Anisotropic oxygen diffusion in PrBaCo 2O 5.5 double perovskites

Defect processes in orthorhombic LnBaCo2O5.5 double perovskites

Refine

Chapters in Books, Reports and Conference Proceedings

Contributions to Journals

¹⁷O NMR Spectroscopy in Lithium-Ion Battery Cathode Materials: Challenges and Interpretation

Fast Redox Kinetics in SrCo_1-xSb_xO_{3- δ}Perovskites for Thermochemical Energy Storage

Structural origins of voltage mysteresis in the Na-Ion cathode P2-Na_0.67[Mg_0.28Mn_0.72]O₂: A combined spectroscopic and density functional theory study

Vanadyl Phosphates A_xVOPO₄ (A = Li, Na, K) as Multielectron Cathodes for Alkali-Ion Batteries

Structural and Electrochemical Consequences of Sodium in the Transition-Metal Layer of O′3-Na₃Ni_1.5TeO₆

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

Electrochemical Properties of Three Li₂Ni₂TeO₆ Structural Polymorphs

Ionic and Electronic Conduction in TiNb₂O₇

Short-range ordering in a battery electrode, the 'cation-disordered' rocksalt Li_1.25Nb_0.25Mn_0.5O₂

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

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

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

Electrochemical Performance of Nanosized Disordered LiVOPO₄

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

Structural Characterization of the Li-Ion Battery Cathode Materials LiTi_xMn_2-xO₄ (0.2 ≤ x ≤ 1.5): A Combined Experimental 7Li NMR and First-Principles Study

Identifying the chemical and structural irreversibility in LiNi_0.8Co_0.15Al_0.05O₂-a model compound for classical layered intercalation

Unraveling the Complex Delithiation and Lithiation Mechanisms of the High Capacity Cathode Material V₆O₁₃

Identifying the distribution of Al³⁺ in LiNi_0.8Co_0.15Al_0.05O₂

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

A systematic study of ²⁵Mg NMR in paramagnetic transition metal oxides: Applications to Mg-ion battery materials

Preventing Structural Rearrangements on Battery Cycling: A First-Principles Investigation of the Effect of Dopants on the Migration Barriers in Layered Li_0.5MnO₂

Characterizing Oxygen Local Environments in Paramagnetic Battery Materials via ¹⁷O NMR and DFT Calculations

Mapping Structural Changes in Electrode Materials: Application of the Hybrid Eigenvector-Following Density Functional Theory (DFT) Method to Layered Li_0.5MnO₂

Anisotropic oxygen diffusion in PrBaCo ₂O _5.5 double perovskites

Defect processes in orthorhombic LnBaCo₂O_5.5 double perovskites