Goward, Gillian - McMaster University - Department of Chemistry & Chemical Biology

研究领域

Our research group aims to apply advanced solid-state NMR techniques, in combination with electrochemical characterisation, to the study of materials of interest as chemical power sources. Proton exchange membrane fuel cells (PEM-FC) and secondary lithium ion batteries provide environmentally friendly energy alternatives. As yet under-exploited is the unique advantage of solid-state NMR for investigating the protons in PEM-FCs, and the lithium ions in Li-ion rechargeable batteries, which can be thought of as the “work horses” of these two systems. Solid-state NMR is well known for its ability to provide site-specific information on structure and dynamics. Processes and interactions such as hydrogen-bonding, ionic conductivity, and polymer chain ordering or mobility can be effectively probed. In recent years, the field of solid-state NMR has experienced rapid technological and methodological growth, allowing a broader range of materials questions to be addressed. Our research program aims to extend the use of these powerful new methods to innovative, electrochemically-relevant materials in whichstructure-property relationships will be determined. As compared to solution-state NMR, where fast isotropic tumbling causes dipolar, quadrupolar, and chemical shielding anisotropies to be averaged, these interactions are retained in the solid state, and thus provide a rich source of information. Advanced solid-state NMR methods, including high-resolution ¹H NMR achieved at high speed Magic Angle Spinning (>30kHz), 2D homonuclear double quantum NMR, heteronuclear multiple quantum NMR, and 2D exchange are used to characterize both structure and dynamics.

近期论文

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Spencer, T.L., Plagos, N., Brouwer, D., Goward, G.R. (2014) The Use of 6Li{7Li}-REDOR NMR Spectroscopy to Compare the Ionic Conductivities of Solid-State Lithium Ion Electrolytes. Physical Chemistry Chemical Physics, 16(6), 2515-2526 Leskes, M., Moore, A.J., Goward, G.R., Grey, C.P. (2013) Monitoring the Electrochemical Processes in the Lithium-Air Battery by Solid State NMR Spectroscopy. J. Phys. Chem. C, 117(51) 26929-26939 Krachkovskiy, S., Pauric, A.D., Halalay, I.C., Goward, G.R. (2013) Slice Selective NMR Diffusion Measurements - a Robust and Reliable Tool for in situ Characterization of Ion Transport Properties in Lithium Ion Battery Electrolytes. J. Phys. Chem. Lett., 4(22), 3940-3944 Pieczonka, N.P.W., Yang, L., Balogh, M.L. Powell, B.R., Chemelewski, K., Manthiram, A., Krachkovskiy, S.A., Goward, G.R., Liu, M., and Kim J. H., (2013) Impact of Lithium Bis(oxalate)borate Electrolyte Additive on the Performance of High-Voltage Spinel/Graphite Li-Ion Batteries. J. Phys Chem. C. 117(44), 22603-22612 Smiley, D.S., Dais, L.J., Goward G.R. (2013) An Improved Understanding of Li+hopping Pathways and Rates in Li3Fe2(PO4)3 Using Selective Inverstion 6Li NMR Spectroscopy. J. Phys. Chem. C, 117 (46), 24181-24188 Yan, B.Z., De Almeida, N.E., Traer, J.W., Goward, G.R. (2013) Dynamics of benzimidazole ethylphosphonate: a solid state NMR study of anhydrous composite proton-conducting electrolytes. Phys. Chem. Chem. Phys., 15, 17983-17992. Spencer, T.L., O'Dell, L.A., Moudrakovski, I., Goward, G.R. (2013). Dynamics of Ag+ Ions in RbAg4I5 Probed Indirectly via 87Rb Solid-State NMR. J. Phys. Chem. C., 117(19), 9558-9565 Spencer, T.L., Goward, G.R., Bain, A.D. (2013) Complete Description of the Interactions of a Quadrupolar Nucleus with a Radiofrequency Field. Implications for Data Fitting. Solid State Nuclear Magnetic Resonance 53, 20-26. Davis, L.J.M., Goward, G.R. (2013). Differentiating Lithium Ion Hopping Rates in Vanadium Phosphate versus Vanadium Fluorophosphate Structures using 1D 6Li Selectie Inversion NMR. J. Phys. Chem. C., 117(16), 7981-7992 Leskes, M., Drewett, N.E., Hardwick, L.J., Bruce, P.G., Goward, G.R., Grey, C.P. (2012). Direct Detection of Discharge Products in Lithium-Oxygen Batteries by Solid State NMR. Angewandte Chemie International. Ed. 51 (34), pg. 8560-8563 Davis, L.J.M., Ellis, B.L., Ramesh,T.N., Nazar, L.F., Bain, A.D., Goward, G.R. (2011). 6Li 1D EXSY NMR Spectroscopy: A New Tool for Studying Lithium Dynamics in Paramagnetic Materials Applied to Monoclinic Li2V(PO4)F J. Phys. Chem. C., 115(45), 22603–22608 He, X. J., Davis, L. J. M., Bain, A. D., Goward, G. R. (2012). Studies of lithium ion dyanmics in paramagnetic cathode materials using 6Li 1D Selective Inversion Methods. Solid State Nuclear Magnetic Resonance. Special Issue in Energy Materials., (42), 26-32 Ellis, B.L., Ramesh, T.N., Davis, L.J.M., Goward, G.R., Nazar, L.F. (2011). Structure and Electrochemistry of Two Electron Redox Couples in Lithium Metal Fluoro-phosphates based on the Tavorite Structure. Chem. Mater 23 (23), pp 5138–5148. Spencer, T.L., Ramzy, A., Thangadurai, V., and Goward, G.R. (2011). Structural Complexity and Electrical Properties of the Garnet-Type Structure LaLi0.5Fe0.2O2.09 Studied by 7Li and 139La Solid State NMR Spectroscopy and Impedance Spectroscopy Chem. Mater., 2011, 23 (12), 3105–3113. (A21) Traer, J.W., Soo, K.J., Vijayakumar, M., Goward, G.R. (2011). Elucidating the Timescale and Geometry of Anion Rotation in Solid Acid Electrolytes Using Multinuclear NMR J. Phys. Chem. C, 115 (13), 6064–6072. Kuhn A.; Narayanan S.; Spencer L.; Thangadurai, V., Goward, G.R., Wilkening, M. (2011). Li self-diffusion in garnet-type Li7La3Zr2O12 as probed directly by diffusion-induced 7Li spin-lattice relaxation NMR spectroscopy Phys.Rev. B 83(9), 094302 Spencer, T.L., Coomes, E., Ye, E., Terskikh V., Ramzy, A., Thangadurai, V., and Goward, G.R., (2011). Structural Analysis of Lanthanum-Containing Battery Materials Using 139La Solid-State NMR, Can. J. Chem. (special issue in honour of Prof. Rod Wasylishen), 89, 1105-1117. (A21) Spencer, T.L., Goward, G.R., Bain, A.D. (2011). Exact Calculation of the Response of a Quadrupolar Nucleus to Radiofrequency Irradiation Can. J. Chem. (special issue in honour of Prof. Rod Wasylishen), 89, 764-769. (A21) Davis, L.J.M., Heinmaa, I., Ellis, B.L., Nazar, L.F., and Goward, G.R. (2011). Influence of Particle Size on Solid Solution Formation and Phase Boundaries in Li0.5FePO4 Revealed by 31P and 7Li Solid State NMR Spectroscopy Phys.Chem.Chem.Phys., 13, 5171 – 5177. Cahill, L.S., Makimura, Y., Iriyama, Y., Nazar, L.F., Goward, G.R. (2010). Synthesis of Li4V(PO4)2F2 and 6,7Li NMR Studies of its Lithium Ion Dynamics, J. Mater.Chem., 20, 4340 – 4346.