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.
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.
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
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.
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
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
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
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
