Publications

51) 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

50) 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 

49) 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 

48) 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.

47) 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)

46) 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.

45) 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   

44) 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)

43) 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)

42) 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 Li_0.5FePO₄ Revealed by ³¹P and ⁷Li Solid State NMR Spectroscopy Phys.Chem.Chem.Phys., 13, 5171 – 5177.

41) 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.

40) Traer, J.W., Goward, G.R.(2010) The Proton Dynamics of Imidazole Methylphosphonate: An example of Cooperative Ionic Conductivity Physical Chemistry Chemical Physics, 12 (263-273).

39) Davis, L.J.M., Heinmaa, I., Goward, G.R. (2010) Study of Lithium Dynamics in Monoclinic Li₃Fe₂(PO₄)₃ using ⁶Li VT and 2D Exchange MAS NMR Spectroscopy. Chem. Mater., 22 (3), 769–775.

38) Amini S.K., Tafazzoli M., Jenkins H.A., Goward, G.R., Bain, A.D. (2009) Measurement and calculation of ¹³C and ¹⁵N NMR chemical-shift tensors of a push-pull ethylene,   Can. J. Chem. 87(4), 556-563   

37)  Vijayakumar, M., Bain, A.D., Goward, G.R. (2009) Investigations of proton conduction mechanism in the high temperature phase of RbH₂PO₄ using multinuclear NMR analysis.  J. Phys. Chem. C.  113(41); 17950–17957.

36) Cahill, L.S., Goward, G.R. (2009) Intermolecular Interactions and Structural Motifs in Crystalline Solids, Handbook of NMR Cyrstallography, in the Encyclopedia of Magnetic Resonance. Wiley & Sons.

35) Barbier J.*, Davis L. J. M., Goward G. R. (2009) Ab initio structure determination of SrBi₂OB₄O₉ by powder X-ray/neutron diffraction and NMR spectroscopy, Powder Diffraction,  24(1), 35-40.

34) Ye G., Mills C. M., Goward G. R.* (2008) Influences of casting solvents on proton dynamics within sulfonated polyether ether ketones (S-PEEKs) studied using high-resolution solid-state NMR, J. Memb. Sci., 319(1-2), 238-2008  

33) Vijayakumar, M.,Traer, J.W., Britten, J.F., Goward, G.R. (2008) Investigations of the Phase Transition and Proton Dynamics in Rubidium Methane Phosphonate studied by Solid State NMR.  J. Phys. Chem. C.  112(13); 5221-5231.

32)  Makimura, Y., Iriyama, Y., Cahill, L.S., Goward, G.R., Nazar, L.F. (2008) Layered Lithium Vanadium Fluorophosphate, Li₅V(PO₄)₂F₂ :A 4-volt class Positive Electrode Material for Lithium-Ion Batteries.  Chem. Mater, 20, 4240-4248.

31) Cahill, L.S., Kirby, C.W., Goward, G.R. (2008) ⁶Li{³¹P} REDOR Studies of Lithium Ion Site Dynamics in Li₃V₂(PO₄)₃  J. Phys. Chem. C 112, 2215-2221.

30) Traer, J.W., Goward, G.R. (2007) Solid-State NMR Studies of Hydrogen Bonding Networks and Proton Transport Pathways based on Anion and Cation Dynamics. Magn. Reson. Chem. 45, S135 - S143.

29) Ye, G., Fortier-McGill, B.E., Traer, J.W., Czardybon, A.R., Goward, G.R. (2007) Probing Proton Mobility in Polyvinazene and its Sulfonated Derivatives Using ¹H Solid-State NMR. Macromol. Chem. Phys. 208

28) Cahill, L.S., Chapman, R.A., Kirby, C.W., Goward, G.R. (2007)  The Challenge of Paramagnetism in 2D ^6,7-Li Exchange NMR.  Applied Magnetic Resonance, (32)565-581. 

27)  Traer, J.W, Britten, J.F., Goward, G.R. (2007) A Solid-State NMR Study of Hydrogen-Bonding Networks and Ion Dynamics in Benzimidazole Salts  J. Phys. Chem. 111, 5602-5609.

26) Ye, G., Hayden, C.A., Goward, G.R. (2007) Proton Dynamics of Nafion and Nafion/SiO₂ composites by Solid State NMR and Pulse Field Gradient NMR.  Macromol. 40, 1529-1537.

25) Traer, J.W., Montoneri, E., Samoson, A., Past, J., Tuherm, T., Goward, G. R. (2006) Unraveling the Complex Hydrogen Bonding of a Dual-Functionality Proton Conductor using Ultra-fast Magic Angle Spinning NMR Chemistry of Materials 18(20), 4747-4754

24) Czardybon, A. R., Goward G.R. (2006) ^6,7Li NMR Study of Ion Mobility on the Molecular Scale in Lithated Imidazole Complexes. Solid State Ionics 177(17-18) 1405-1411.

23) Ye, G., Janzen, N., Goward, G.R. (2006) Solid-State NMR Study of Two Classic Proton Conducting Polymers: Nafion TM and Sulfonated Polyether Ether Ketones. Macromolecules, 39, 3283-3290.

22) Cahill, L.S., Chapman, R.P., Britten, J.F., Goward, G.R. (2006) ⁷Li NMR and 2D Exchange Study of Lithium Dynamics in Monoclinic Li₃V₂(PO₄)₃. Journal of Physical Chemistry B, 110, 7171-7177.

21) Cahill, L.S., Yin, S.-C. Nazar, L.F., Heinmaa, I., Samoson, A., Goward, G.R. (2005) ⁶Li NMR Studies of Cation Disorder and Transition Metal Ordering in Li[Ni_⅓Mn_⅓Co_⅓]O₂Using Ultra-Fast Magic Angle Spinning. Chemistry of Materials, 17, 6560-6566.

20) Benhabbour, S.R., Scharfenberger, G., Meyer, W., Goward, G.R. (2005) Study of Imidazole-Based Proton-Conducting Composite Materials Using Solid-State NMR. Chemistry of Materials, 17, 1605-1612.

19) Czardybon, A.R., Sivasubramaniam K., Goward. G.R. (2005) Investigation of Imidazole-Based Lithium Conducting Materials. K9.12.1 Mater. Res. Soc. Symp. Proc. Vol. 835.

18) Densmore, C. Rasmussen, P. Goward, G. R. (2005) Probing Hydrogen Bonding and Proton Mobility in Dicyanoimidazole Monomers and Polymers. Macromolecules, 38, 416-421.

17) Cahill, L.S., Yao, Z., Adronov, A., Penner, J., Moonoosawmy, K.R., Kruse P., Goward G.R.(2004) Polymer-Functionalized Carbon Nanotubes Investigated Using Solid-State NMR and Scanning Tunneling Microscopy. Journal of Physical Chemistry B. 108,11412-11418.

16) Fischbach, I. , Saalwachter, K. Spiess, H.W. Goward,G.R. (2004) Solid State NMR Spectroscopic Investigations of Model Compounds for Imidazole-Based Proton Conductors. Journal of Physical Chemistry B. 108, 18500-18508.

15) Goward,G.R., Sebastiani D., Schnell I. , Spiess, H.W. (2003) Benzoxazine Oligomers: Evidence for a Helical Structure From Solid-State NMR and DFT-Based Dynamics and Chemical Shift Calculations. Journal of the American Chemical Society. 125 5792-5800.

14) Sebastiani, D., Goward, G., Schnell, I. , Spiess, H.W.  (2003). NMR chemical shifts in proton conducting crystals from first principles. J. Mol. Struc.(THEOCHEM), 625, 283-288.

13) Goward,G.R., Fischbach, I. , Saalwachter, K Spiess, H.W. (2003) Plastic Crystal Phenomena in Imidazole Methyl Sulfonate as Probed by Advanced Solid-State NMR. Solid State NMR, 24, 150-162.

12) Goward, G.R., Schuster, M. Sebastiani, D., Schnell, I. , Spiess, H.W. (2002) High-Resolution Solid-State ¹H NMR Studies of Imidazole-Based Proton Conductors. Journal of Physical Chemistry B. 106, 9322-9334.

11) Sebastiani, D., Goward, G., Schnell, I. , Parrinello, M. (2002)NMR chemical shifts in periodic systems from first principles Computer Physics Communications, 147, 707.

10) Goward, G.R., Schnell, I, Brown, S.P. Spiess, H.W., Kim, H-D. and Ishida, H. (2001) Investigation of a N---H Hydrogen Bond in a Solid Benzoxazine Dimer by ¹H-¹⁵N NMR Correlation Techniques Under Fast MAS. Magnetic Resonance in Chemistry. 39 , S5 - S17. (invited paper in special issue on “NMR and Hydrogen Bonds”)

9) Nazar, L. Goward, G. Leroux, F. Kerr, T, Huang, H. Gaubicher J. (2001), Nanostructured Materials for Energy Storage, International Journal of Inorganic Materials, 3 , 191-200.

8) Goward, G.R., Taylor , N.J. , Souza, D.C.S., Nazar, L.F. (2001) The True Crystal Structure of Li17M4 (M = Ge, Sn, Pb) – Revised from Li22M5. Journal of Alloys and Compounds. 329, 82.

7) Gaubicher, J. Masquelier, C. Wurm, C. Goward G., Nazar, L. (2000) A new Li-ion Cathodic Material: the Rhombohedral Form of Li₃V₂(PO₄)₃. Chemistry of Materials, 12(11) 3240-3242.

6) Goward, G.R., Nazar, L.F., Power, W.P. (2000) Electrochemical and Multinuclear Solid-State NMR Studies of Tin Composite Oxide Glasses as Anodes for Li Ion Batteries. Journal of Materials Chemistry. 10(5) 1241-1249.

5) Goward, G. R., Power, W. P., Leroux, F., Ouvrard, G., Dmowski, W., Egami, T., Nazar, L. F., (1999) On the Nature of Li Insertion in Tin Composite Oxide Glasses. Electrochemical and Solid-State Letters. 2(8) 367-370.

4) Leroux, F., Goward, G.R., Power, W.P., Nazar, L.F.(1998) Understanding the Nature of Low Potential Li Uptake into High Volumetric Capacity Molybdenum Bronzes. Electrochemical and Solid-State Letters. 1(6) 255-258.

3) Garbutt, J.R., Goward, G.R., Kirby, C.W., Power, W.P., (1998) Solid-State ²H NMR Study of Methyl-d 3-cobalamin. Biochemistry and Cell Biology. 76, 423-428. (in special issue Biological NMR Spectroscopy in Canada ).

2) Goward, G.R., Kerr, T.A., Power, W.P., Nazar, L.F. (1998) Solid State ²H NMR Determination of Poly(aniline) Conformation Within a MoO3 Nanocomposite. Advanced Materials. 10(6): 449-452.

1) Goward, G.R., Leroux, F.Nazar, L.F. (1998) Poly(pyrrole) and poly(thiophene)/vanadium oxide interleaved nanocomposites: positive electrodes for lithium batteries. Electrochimica Acta. 43 , 1307-1313.