Ieuan Seymour

2023

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

Bassey, E. N., Seymour, I. D., Bocarsly, J. D., Keen, D. A., Pintacuda, G. & Grey, C. P., 26 Dec 2023, In: Chemistry of Materials. 35, 24, p. 10564-10583 20 p.

Research output: Contribution to journal › Article › peer-review

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

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-L., Thakur, P. K., Dose, W. M., De Volder, M. F. L., Grey, C. P. & Piper, L. F. J., 8 Dec 2023, In: ACS Energy Lett.. 8, 12, p. 5025-5031 7 p.

Research output: Contribution to journal › Article › peer-review

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

Seymour, I. D., Quérel, E., Brugge, R. H., Pesci, F. M. & Aguadero, A., 22 Jun 2023, In: ChemSusChem. 16, 12, 41 p., e202202215.

Research output: Contribution to journal › Review article › peer-review

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6 Citations (Scopus)

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

Williams, N. J., Osborne, C., Seymour, I. D., Bazant, M. Z. & Skinner, S. J., Apr 2023, In: Electrochemistry Communications. 149, 107458.

Research output: Contribution to journal › Article › peer-review

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6 Citations (Scopus)

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

Quérel, E., Williams, N. J., Seymour, I. D., Skinner, S. J. & Aguadero, A., 14 Feb 2023, In: Chemistry of Materials. 35, 3, p. 853-862 10 p.

Research output: Contribution to journal › Article › peer-review

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6 Citations (Scopus)

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

Williams, N. J., Quérel, E., Seymour, I. D., Skinner, S. J. & Aguadero, A., 14 Feb 2023, In: Chemistry of Materials. 35, 3, p. 863-869 7 p.

Research output: Contribution to journal › Article › peer-review

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3 Citations (Scopus)

2022

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

Bassey, E. N., Reeves, P. J., Seymour, I. D. & Grey, C. P., 19 Oct 2022, In: Journal of the American Chemical Society. 144, 41, p. 18714-18729 16 p.

Research output: Contribution to journal › Review article › peer-review

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7 Citations (Scopus)

Electric Fields and Charge Separation for Solid Oxide Fuel Cell Electrodes

Williams, N. J., Seymour, I. D., Fraggedakis, D. & Skinner, S. J., 28 Sept 2022, In: Nano Letters. 22, 18, p. 7515-7521 7 p.

Research output: Contribution to journal › Article › peer-review

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5 Citations (Scopus)

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

Williams, N. J., Seymour, I. D., Leah, R. T., Banerjee, A., Mukerjee, S. & Skinner, S. J., 28 May 2022, In: Journal of Materials Chemistry A. 10, 20, p. 11121-11130 10 p.

Research output: Contribution to journal › Article › peer-review

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4 Citations (Scopus)

2 Downloads (Pure)

Disrupting Sodium Ordering and Phase Transitions in a Layered Oxide Cathode

Grundish, N. S., Lyu, H., Seymour, I. D., Henkelman, G. & Khani, H., 4 Apr 2022, In: Journal of the Electrochemical Society. 169, 4, 9 p., 040504.

Research output: Contribution to journal › Article › peer-review

1 Citation (Scopus)

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

Wilson, G. E., Seymour, I. D., Cavallaro, A., Skinner, S. J. & Aguadero, A., Apr 2022, In: Journal of the Electrochemical Society. 169, 4, 9 p., 044509.

Research output: Contribution to journal › Article › peer-review

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2 Citations (Scopus)

1 Downloads (Pure)

2021

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

Quérel, E., Seymour, I. D., Cavallaro, A., Ma, Q., Tietz, F. & Aguadero, A., 12 Nov 2021, In: JPhys Energy . 3, 4, 044007.

Research output: Contribution to journal › Article › peer-review

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22 Citations (Scopus)

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

Seymour, I. D. & Aguadero, A., 21 Sept 2021, In: Journal of Materials Chemistry A. 9, 35, p. 19901-19913 13 p.

Research output: Contribution to journal › Article › peer-review

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11 Citations (Scopus)

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

Williams, N. J., Seymour, I. D., Leah, R. T., Mukerjee, S., Selby, M. & Skinner, S. J., 21 Jul 2021, In: Physical Chemistry Chemical Physics. 23, 27, p. 14569-14579 11 p.

Research output: Contribution to journal › Article › peer-review

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5 Citations (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

Bassey, E. N., Reeves, P. J., Jones, M. A., Lee, J., Seymour, I. D., Cibin, G. & Grey, C. P., 13 Jul 2021, In: Chemistry of Materials. 33, 13, p. 4890-4906 17 p.

Research output: Contribution to journal › Article › peer-review

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24 Citations (Scopus)

Intrinsic dipole moments and electron transfer at MIEC-Gas Interfaces

Williams, N. J., Seymour, I. D., Leah, R. T., Mukerjee, S., Selby, M. & Skinner, S. J., 2021, 17th International Symposium on Solid Oxide Fuel Cells, SOFC 2021. 1 ed. IOP Publishing Ltd., p. 973-979 7 p. (ECS Transactions; vol. 103, no. 1).

Research output: Chapter in Book/Report/Conference proceeding › Published conference contribution

2020

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

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. J., Ong, S. P., Chapman, K. W., Grey, C. P. & Whittingham, M. S., 15 Dec 2020, In: Advanced Energy Materials. 10, 47, 2002638.

Research output: Contribution to journal › Review article › peer-review

21 Citations (Scopus)

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

Grundish, N. S., Seymour, I. D., Li, Y., Sand, J. B., Henkelman, G., Delmas, C. & Goodenough, J. B., 8 Dec 2020, In: Chemistry of Materials. 32, 23, p. 10035-10044 10 p.

Research output: Contribution to journal › Article › peer-review

14 Citations (Scopus)

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

Aslam, M. K., Seymour, I. D., Katyal, N., Li, S., Yang, T., Bao, S. J., Henkelman, G. & Xu, M., 1 Dec 2020, In: Nature Communications. 11, 5242 , 11 p., 5242.

Research output: Contribution to journal › Article › peer-review

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99 Citations (Scopus)

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

Li, L., Li, H., Seymour, I. D., Koziol, L. & Henkelman, G., 14 Jun 2020, In: The Journal of Chemical Physics. 152, 22, p. 224102 1 p.

Research output: Contribution to journal › Article › peer-review

9 Citations (Scopus)

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., 15 Apr 2020, In: Journal of the American Chemical Society. 142, 15, p. 7001-7011 11 p.

Research output: Contribution to journal › Article › peer-review

69 Citations (Scopus)

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. V., Siu, C., Reeves, P. J., Zhou, H., Chernova, N. A., Whittingham, M. S. & Grey, C. P., 21 Mar 2020, In: Journal of Materials Chemistry A. 8, 11, p. 5546-5557 12 p.

Research output: Contribution to journal › Article › peer-review

13 Citations (Scopus)

2019

Electrochemical Properties of Three Li₂Ni₂TeO₆ Structural Polymorphs

Grundish, N. S., Seymour, I. D., Henkelman, G. & Goodenough, J. B., 26 Nov 2019, In: Chemistry of Materials. 31, 22, p. 9379-9388 10 p.

Research output: Contribution to journal › Article › peer-review

29 Citations (Scopus)

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., 23 Oct 2019, In: Journal of the American Chemical Society. 141, 42, p. 16706-16725 20 p.

Research output: Contribution to journal › Article › peer-review

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135 Citations (Scopus)

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

Zhao, Q., Katyal, N., Seymour, I. D., Henkelman, G. & Ma, T., 2 Sept 2019, In: Angewandte Chemie - International Edition. 58, 36, p. 12553-12557 5 p.

Research output: Contribution to journal › Article › peer-review

55 Citations (Scopus)

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., Aug 2019, In: Electrochemistry Communications. 105, 6 p., 106491.

Research output: Contribution to journal › Article › peer-review

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26 Citations (Scopus)

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., 23 Apr 2019, In: Chemistry of Materials. 31, 8, p. 2814-2821 8 p.

Research output: Contribution to journal › Article › peer-review

21 Citations (Scopus)

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

Jones, M. A., Reeves, P. J., Seymour, I. D., Cliffe, M. J., Dutton, S. E. & Grey, C. P., 2019, In: Chemical Communications. 55, 61, p. 9027-9030 4 p.

Research output: Contribution to journal › Article › peer-review

56 Citations (Scopus)

2018

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., Dec 2018, In: Journal of the American Chemical Society. 140, 51, p. 18192-18199 8 p.

Research output: Contribution to journal › Article › peer-review

193 Citations (Scopus)

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., 21 Sept 2018, In: Journal of Materials Chemistry A. 6, 35, p. 16983-16991 9 p.

Research output: Contribution to journal › Article › peer-review

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26 Citations (Scopus)

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., Aug 2018, In: Chemistry - A European Journal. 24, 44, p. 11309-11313 5 p.

Research output: Contribution to journal › Article › peer-review

18 Citations (Scopus)

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. J., Grey, C. P. & Whittingham, M. S., 31 Jul 2018, In: ACS Omega. 3, 7, p. 7310-7323 14 p.

Research output: Contribution to journal › Article › peer-review

Open Access

29 Citations (Scopus)

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. J. & Whittingham, M. S., 18 Jun 2018, In: Chemical Communications. 54, 56, p. 7802-7805 4 p.

Research output: Contribution to journal › Article › peer-review

53 Citations (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

Pigliapochi, R., Seymour, I. D., Merlet, C., Pell, A. J., Murphy, D. T., Schmid, S. & Grey, C. P., 13 Feb 2018, In: Chemistry of Materials. 30, p. 817-829 13 p.

Research output: Contribution to journal › Article › peer-review

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27 Citations (Scopus)

Identifying the chemical and structural irreversibility in LiNi_0.8Co_0.15Al_0.05O₂-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., 7 Feb 2018, In: Journal of Materials Chemistry A. 6, 9, p. 4189-4198 10 p.

Research output: Contribution to journal › Article › peer-review

48 Citations (Scopus)

Chapter 11: NMR Studies of Electrochemical Storage Materials

Magusin, P. C. M. M., Seymour, I. D., Pecher, O. & Grey, C. P., 2018, Modern Methods in Solid-state NMR: A Practitioner’s Guide . Hodgkinson, P. (ed.). 15 ed. Royal Society of Chemistry, p. 322-355 34 p. (New Developments in NMR; vol. 2018-January, no. 15).

Research output: Chapter in Book/Report/Conference proceeding › Chapter

4 Citations (Scopus)

2017

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., 5 Jun 2017, In: Chemistry of Materials. 29, 13, p. 5513-5524 12 p.

Research output: Contribution to journal › Article › peer-review

33 Citations (Scopus)

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., 8 Feb 2017, In: Physical Review B. 95, 5, 11 p., 054412.

Research output: Contribution to journal › Article › peer-review

35 Citations (Scopus)

2016

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

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., 22 Nov 2016, In: Chemistry of Materials. 28, 22, p. 8170-8180 11 p.

Research output: Contribution to journal › Article › peer-review

78 Citations (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

Clément, R. J., Middlemiss, D. S., Seymour, I. D., Ilott, A. J. & Grey, C. P., 22 Nov 2016, In: Chemistry of Materials. 28, 22, p. 8228-8239 12 p.

Research output: Contribution to journal › Article › peer-review

53 Citations (Scopus)

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., 11 Nov 2016, In: Physical Chemistry Chemical Physics. 19, 1, p. 613-625 13 p.

Research output: Contribution to journal › Article › peer-review

46 Citations (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

Seymour, I. D., Wales, D. J. & Grey, C. P., 8 Sept 2016, In: Journal of Physical Chemistry C. 120, 35, p. 19521-19530 10 p.

Research output: Contribution to journal › Article › peer-review

Open Access

16 Citations (Scopus)

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., 3 Aug 2016, In: Journal of the American Chemical Society. 138, 30, p. 9405-9408 4 p.

Research output: Contribution to journal › Article › peer-review