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Claire Grey

Clare P. Grey, Professor
Associate Director, Northeastern Center for Chemical Energy Storage
Geoffrey Moorhouse Gibson Professor of Chemistry, Cambridge University, UK.

B.A. 1987
Ph.D. University of Oxford, 1991
Junior Research Fellow, Balliol College, University of Oxford 1990
Royal Society Postdoctoral Fellow, University of Nijmegen, the Netherlands 1991-1992

The Grey Group Website


Materials Chemistry: Structure and Function

We use a wide range of techniques, including solid state NMR and diffraction, to investigate local structure and the role that this plays in controlling the physical properties of a wide range of technologically-important, but disordered, materials. Conventional structural techniques, such as powder and single-crystal X-ray and neutron diffraction, characterize the "long-range" order, giving an average view of a structure; as a system becomes more disordered, these methods become progressively less useful. Even the most disordered system will, however, contain some local order. Solid-state nuclear magnetic resonance (NMR) probes the local environment of a particular nucleus, and is ideally suited to study such materials. Systems currently under investigation include lithium-ion batteries, fuel cell materials, catalysts and molecular sieves. By using a combination of short range (NMR) and long range (XRD) structural techniques, we can build up a detailed structure of the disordered compound - this helps determine how the particular material functions and provides insight as to how it can be improved.

Anionic conductors:

We use 17O and 19F magic angle spinning NMR to study oxide and fluoride conduction. By identifying individual crystallographic or interstitial sites in often highly disordered materials, we can determine which anion sites are responsible for ionic conduction and obtain a much deeper understanding of how these materials function as "superionic" conductors. The ionic materials under investigation find potential uses as membranes in solid oxide fuel cells and as oxygen sensors.


We use lithium NMR to investigate electrode materials for rechargeable lithium-ion batteries. The mechanism of lithium intercalation and deintercalation are probed by using 6Li/ 7Li NMR and the effect of this on local structure and electronic and magnetic properties are investigated. The NMR experiments are complemented by diffraction and X-ray absorption methods.

Environmental Chemistry:

Our current interests involve the use of NMR to characterize (i) new layered materials designed to sorb high concentrations of pollutants and (ii) natural systems such as the hydrated iron and manganese oxides often found in soil samples; these oxides represent important sorbates for toxic ions such as Pb2+ or H2AsO4-.

Gas Sorption and Catalysis

Projects in this area include the study of gas adsorption and reactivity on catalysts and zeolites. We are currently using multinuclear methods to examine nitridation of zeolites, to make materials with higher basicity.


  • Visiting Scientist, DuPont Central Research and Development 1992-1993
  • NSF Young Investigator Award 1994
  • Cottrell Scholar 1997
  • DuPont Young Investigator Award 1997
  • Camille and Henry Dreyfus Foundation Teacher-Scholar 1998
  • Visiting Professor, Université Louis Pasteur, Strasbourg 2000
  • NSF POWRE Award 2000
  • Visiting Professor, Université de Picardie Jules Vernes, Amiens 2006-2007, 2007-2008
  • Research Award of the Battery Division-Electrochemical Society 2007
  • NYSTAR Award 2008
  • Vaughan Lecturer 2008
  • Geoffrey Moorhouse Gibson Professor in Inorganic Chemistry, University of Cambridge, UK July 2009-Present
  • Director, Northeastern Chemical Energy Storage Center, a Department of Energy Frontier Center August 2009-Present
  • Head, Inorganic Sector, Cambridge University, UK August 2009-Present
  • AMPERE Award 2010
  • RSC John Jeyes Award 2010
  • Kavli Medal and Lecture 2011
  • Fellow of the Royal Society 2011
  • Fellow of the International Society of Magnetic Resonance 2011
  • Honorary PhD Degree “Docteur Honaris Causa” from the University of Orleans 2012



“Nonequilibrium structure of Zn2SnO4 spinel nanoparticles”, V. Sepelak, S.M. Becker, I. Bergmann, S. Indris, M. Scheuermann, A. Feldhoff, C. Kubel, M. Bruns, N. Sturzl, A.S. Ulrich, M. Ghafari, H. Hahn, C.P. Grey, K.D. Becker and P. Heitjans, J. Mater. Chem., 22, 3117-3126, (2012).

“Isotropic high field NMR spectra of Li-Ion battery materials with anisotropy >1 MHz”, I. Hung, L. Zhou, F. Pourpoint, C.P. Grey and Z. Gan, J. Am. Chem. Soc., 134, 1898-1901 (2012).

“Crystal structure, physical properties, and electrochemistry of copper substituted LiFePO4 single crystals”, S. Upreti, N.A. Chernova, J. Xiao, J.K. Miller, O.V. Yakubovich, J. Cabana, C.P. Grey, V.L. Chevrier, G. Ceder, J.L. Musfeldt, M.S. Whittingham, Chem. Mat., 24, 166-173, (2012).

“Nanoparticulate TiO 2 B: An anode for lithium-ion batteries”, Y. Ren, Z. Liu, F. Pourpoint, A.R. Armstrong, C.P. Grey, P.G. Bruce, Angew. Chem. Int. Ed., 51, 2164-2167, (2012).

“Thermal phase transformations in LaGaO 3 and LaAlO 3 perovskites: An experimental and computational solid-state NMR study”, F. Blanc, D.S. Middlemiss, L. Buannic, J.L. Palumbo, I. Farnan and C.P. Grey, Solid State Nucl. Magn. Reson., 42, 87-97, (2012). 

7Li MRI of Li batteries reveals location of microstructural lithium”, S. Chandrashekar, S.M. Trease, H.J. Chang, L.S. Du, C.P. Grey and A. Jerschow, Nat. Mater., 11, 311-315, (2012).

“In situ NMR of lithium ion batteries: Bulk susceptibility effects and practical considerations”, N.M. Trease, L. Zhou, H.J. Chang, B.Y. Zhu, C.P. Grey, Solid State Nucl. Magn. Reson., 42,62-70(2012).

“Electronic Spin Transition in Nanosize Stoichiometric Lithium Cobalt Oxide”, D. Qian, Y. Hinuma, H. Chen, L.S. Du, K.J. Carroll, G. Ceder, C.P. Grey, Y.S. Meng, J. Am. Chem. Soc., (2012). DOI: 10.1021/ja300868e.

“Solid-state MAS NMR studies of brønsted Acid sites in zeolite h-mordenite”, H. Huo, L. Peng, Z. Gan, C.P. Grey, J. Am. Chem. Soc., 134, 9708-9720, (2012).

“Probing cation and vacancy ordering in the dry and hydrated yttrium substituted BaSnO3 perovskite by NMR spectroscopy and first principles calculations: Implications for proton mobility”, L. Buannic, F. Blanc, D.S. Middlemiss, C.P. Grey,
 J. Am. Chem. Soc., DOI: 10.1021/ja304712v (2012).

“Degradation and (de)lithiation processes in the high capacity battery material LiFeBO”, S.H. Bo, F. Wang, Y. Janssen, D.L. Zeng, K.W. Nam, W.Q. Xu, L.S. Du, J. Graetz, X.Q. Yang, Y.M. Zhu, J.B. Parise, C.P. Grey, P.G. Khalifah, J. Mater. Chem., 22, 8799-8809, (2012). DOI: 10.1039/c2jm16436a

“Investigation of cation ordering in triclinic sodium birnessite via Na-23 MAS NMR spectroscopy”, K.A. Aldi, J. Cabana, P.J. Sideris, C.P. Grey, American Mineralogist, 97, 883-889,  DOI: 10.2138/am.2012.3933. (2012).

“Structural Modulation in the High Capacity Battery Cathode Material LiFeBO(3)”, Y. Janssen, D.S. Middlemiss, S.H. Bo, C.P. Grey, P.G. Khalifah, J. Am. Chem. Soc., 1520-5126, DOI: 10.1021/ja301881c (2012).

“Direct Detection of Discharge Products in Lithium-Oxygen Batteries by Solid-State NMR Spectroscopy”, M. Leskes, N.E. Drewett, L.J. Hardwick, P.G. Bruce, G.R. Goward, C.P. Grey, Angew Chem. Int. Ed. Engl., 1521-3773, DOI: 10.1002/anie.201202183 (2012).


“Pair distribution function analysis and solid state NMR studies of silicon electrodes for lithium ion batteries: Understanding the (De)lithiation mechanisms”, B. Key, M. Morcrette, J-M. Tarascon and C.P. Grey, J. Am. Chem. Soc., 133, 503-512, (2011).

LiCoO 2 Concaved cuboctahedrons from symmetry-controlled topological reactions ” H.L. Chen, L.J. Wu, L.H. Zhang, Y.M. Zhu and C.P. Grey, J. Am. Chem. Soc., 133, 262–270, (2011).

 “ Measuring Brønsted acid site O−H distances in zeolites HY and HZSM-5 with low-temperature 17O -1H double resonance MAS NMR spectroscopy ”, H. Huo, L.M. Peng and C.P. Grey, J. Phys. Chem. C, 115, 2030–2037, (2011).

 “High-resolution 27Al MAS NMR spectroscopic studies of the response of spinel aluminates to mechanical action”, V. Sepelak, I. Bergmann, S. Indris, A. Feldhoff, H. Hahn, K. Dieter Becker, C.P. Grey and P. Heitjans, J. Mater. Chem., 21, 8332-8337, (2011).

 “Effect of ball-milling and lithium insertion on the lithium mobility and structure of Li 3Fe 2(PO 4) 3”, J. Cabana, J. Shirakawa, M. Nakayama, M. Wakihara and C.P. Grey, J. Mater. Chem., 21, 10012-10020, (2011).

 “Characterization and carbonization of highly oriented poly(diiododiacetylene) nanofibers”, L. Luo, C. Wilhelm, C.N. Young, C.P. Grey, G.P. Halada, K. Xiao, I.N. Ivanov, J.Y. Howe, D.B. Geohegan and N.S. Goroff, Macromolecules, 44, 2626-2631, (2011).

 “Liquid phase aldol condensation reactions with MgO-ZrO 2 and shape-selective nitrogen-substituted NaY”, W.Q. Shen, G.A. Tompsett, K.D. Hammond, R. Xing, F. Dogan, C.P. Grey, W.C. Conner, S.M. Auerbach and G.W. Huber, Appl. Catal. A-Gen., 392, 57-68, (2011).

 “C-13 solid state NMR suggests unusual breakdown products in SEI formation on lithium ion electrodes”, N. Leifer, M.C. Smart, G.K.S. Prakash, L. Gonzalez, L. Sanchez, K.A. Smith, P. Bhalla, C.P. Grey and S.G. Greenbaum, J. Electrochem. Soc., 158, A471-A480, (2011).

 “Insight into the local magnetic environments and deuteron mobility in jarosite (AFe 3(SO 4) 2(OD,OD 2) 6, A = K, Na, D3O) and hydronium alunite ((D3O)Al3(SO4)2(OD)6), from variable-temperature 2H MAS NMR spectroscopy”, U.G. Nielsen, I. Heinmaa, A. Samoson, J. Majzlan and C.P. Grey, Chem. Mat., 23,3176-3187 , (2011).

 “Citric acid- and ammonium-mediated morphological transformations of olivine LiFePO 4 particles”, Z. Lu, H. Chen, R. Robert, B.Y.X. Zhu, J. Deng, L. Wu, C.Y. Chung and C.P. Grey, Chem. Mat., 23, 2848-2859, (2011).

 “Conversion reaction mechanisms in lithium ion batteries: Study of the binary metal fluoride electrodes”, F. Wang, R. Robert, N.A. Chernova, N. Pereira, F. Omenya, F. Badway, X. Hua, M. Ruotolo, R. Zhang, L. Wu, V. Volkov, D. Su, B. Key, M.S. Whittingham, C.P. Grey, G.G. Amatucci, Y. Zhu, J. Graetz, J. Am. Chem. Soc., 133,18828-18836 (2011).

 “Defects in doped LaGaO 3 anionic conductors: Linking NMR spectral features, local environments and defect thermodynamics”, F. Blanc, D.S. Middlemiss, Z. Gan, C.P. Grey, J. Am. Chem. Soc., 133, 17662-17672 (2011).

 “Real-time NMR studies of electrochemical double-layer capacitors”, H. Wang, T.K.J. Köster, N.M. Trease, J. Segalini, P.-L. Taberna, P. Simon, Y. Gogotsi and C.P. Grey, J. Am. Chem. Soc., 133, 19270-19273 (2011).

 “Room-temperature carbonization of poly(diiododiacetylene) by reaction with Lewis bases” L. Luo, D. Resch, C. Wilhelm, C.N. Young, G.P. Halada, R.J. Gambino, C.P. Grey, N.S. Goroff,  J. Am. Chem. Soc., 133, 19274-19277 (2011).

 “Resolving the different silicon clusters in Li 12Si 7 by 29Si and 6,7Li solid-state NMR spectroscopy”, T.K.-J. Köster, E. Salager, A.J. Morris, B. Key, V. Seznec, M. Morcrette, C.J. Pickard and C.P. Grey, Angew. Chem. Int. Ed., 50, (2011).

 “Energetics of hydrogen/lithium complexes in silicon analyzed using the Maxwell construction”, A.J. Morris, C.P. Grey, R.J. Needs and C.J. Pickard, Phys. Rev. B., 84, 224106-1 -5, (2011).


“Investigation of the structural changes in Li[Ni yMn yCo( 1−2y)]O 2 (y = 0.05) upon electrochemical lithium deintercalation”, D.L. Zeng, J. Cabana, W.S. Yoon and C. P. Grey, Chem. Mater., 22, 1209-1219, (2010).

 “High rate performance of lithium manganese nitride and oxynitride as negative electrodes in lithium batteries”, J. Cabana, C.M. Ionica-Bousquet, C.P. Grey and M. R. Palacín, Electrochem. Commun., 12,315-318, (2010).

"MAS NMR study of the metastable solid solutions found in the LiFePO 4/FePO 4 system", J. Cabana, J. Shirakawa, G.Y. Chen, T.J. Richardson and C.P. Grey, Chem. Mater., 22, 1249-1262, (2010).

Optimizing the synthesis of nitrogen-substituted zeolites”, K.D. Hammond, M. Gharibeh, G.A. Tompsett, F. Dogan, A.V. Brown, C.P. Grey, S.M. Auerbach and W.C. Conner, Jr., Chem. Mater., 22, 130-142, (2010).

“Investigation of surface structures by powder diffraction: A differential pair distribution function study on arsenate sorption on ferrihydrite”, R. Harrington, D.B. Hausner, N. Bhandari, D.R. Strongin, K.W. Chapman, P.J. Chupas, D.S. Middlemiss, C.P. Grey and J.B. Parise, Inorg. Chem., 49, 325-330, (2010).

Solid-state NMR calculations for metal oxides and gallates: Shielding and quadrupolar parameters for perovskites and related phases” , D.S. F. Blanc, C.J. Pickard and C.P. Grey, J. Magn. Reson., 204, 1-10, (2010).

“Linking local environments and hyperfine shifts: A combined experimental and theoretical 31P and 7Li solid–state NMR study of paramagnetic Fe(III) phosphates”, J. Kim, D.S. Middlemiss, N.A. Chernova, B.Y.X. Zhu, C. Masquelier and C.P. Grey, J. Am. Chem. Soc., 132, 16825-16840, (2010).

In situ NMR observation of the formation of metallic lithium microstructures in lithium batteries”, R. Bhattacharyya, B. Key, H. L. Chen, A.S. Best, A.F. Hollenkamp and C.P. Grey, Nat. Mater., 9, 504-520 (2010).

“Surface science studies of environmentally relevant iron (oxy)hydroxides ranging from the nano to the macro-regime”, D.R. Strongin, C.P. Grey, J.B. Parise and J.D. Kubicki, Surf. Sci., 604, 1065-1069, (2010).

2H and 7Li solid-state MAS NMR study of local environments and lithium adsorption on the iron (III) oxyhydroxide, akaganeite (b-FeOOH),” J. Kim and C.P. Grey, Chem. Mater., 22, 5453-5462, (2010).

 “Chemica lly modified Ba 6Mn 24O 48 tunnel manganite as a lithium insertion host ,” E.A. Pomerantseva, T.L. Kulova, D.L. Zeng, A.M. Skundin, C.P. Grey, E.A. Goodilin and Y.D. Tretyakov, Solid State Ionics, 181, 1002-1008, (2010).

Structural complexity of layered-spinel composite electrodes for Li-ion batteries”, J. Cabana, C.S. Johnson, X.Q. Yang, K.Y. Chung, W.S. Yoon, S.H. Kang, M.M. Thackeray and C.P. Grey, J. Mater. Res., 25, 1601-1616, (2010).

 “ Probing the local structures and protonic conduction pathways in scandium substituted BaZrO 3 by multinuclear solid-state NMR spectroscopy ” L. Buannic, F. Blanc, I. Hung, Z.H. Gan and C.P. Grey, J. Mater. Chem., 20, 6322-6332, (2010).

Spin crossover in the CsFeII[Cr-III(CN)6] Prussian blue analog: Phonons and thermodynamics from hybrid functionals ”, D.S. Middlemiss, D. Portinari, C.P. Grey , C.A. Morrison and C.C. Wilson, Phys. Rev. B, 81, 184410, (2010).


"Influence of Benzoquinone Sorption on the Structure and Electrochemical Performance of the MIL-53(Fe) Hybrid Porous Material in a Lithium Ion Battery", G. de Combarieu, M. Morcrette, F. Milange, N. Guillou, J. Cabana, C. P. Grey, I. Margiolaki, G. Ferey, and J. -M. Tarascon, Chem. Mater., 21, 2733-2745 (2009).

"Real-time NMR Investigations of Structural Changes in Silicon Electrodes for Lithium-ion Batteries", B. Key, R. Bhattacharyya, M. Morcrette, V. Seznéc, J.-M. Tarascon and C. P. Grey, J. Am. Chem. Soc., 131, (26), 9239-9249, (2009).

"Electrochemical and Structural Study of the Layered, "Li-excess" Lithium-Ion Battery Electrode Material Li[Li1/9Ni1/3Mn5/9]O2", M. Jiang, B. Key, Y.S. Meng, C.P. Grey, Chem. Mater.,21, 2733-2745, (2009).

Investigation of the Conversion Reaction Mechanisms for Binary Copper (II) Compounds by Solid-State NMR Spectroscopy and X-ray Diffraction", N. Yamakawa, M. Jiang and C.P. Grey, Chem. Mat,21 (14), 3162–3176 (2009).

"The effects of moderate thermal treatments under air on LiFePO4 -based nano powders", S. Hamelet, P. Gibot, M. Casas-Cabanas, D. Bonnin, C.P. Grey, J. Cabana, J.-B. Leriche, J. Rodriguez-Carvajal, M. Courty, S. Levasseur, P. Carlach, M. van Thournout, J.-M. Tarascon, C. Masquelier, J. Mater. Chem., 19, (23), 3979-3991 (2009).

"A study of the lithium conversion mechanism of iron fluoride in a Li ion battery, by using solid state NMR, XRD and PDF analysis studies", N. Yamakawa, M. Jiang, B. Key and C.P. Grey, J. Am. Chem. Soc., 131 (30), 10525–10536 (2009)

"Structural and electrochemical characterization of Li-Mn-Ni-O electrodes with integrated layered-spinel structures for Li-ion batteries", J. Cabana, S.-H. Kang, C.S. Johnson, M.M. Thackeray, and C.P. Grey, J. Electrochem. Soc., 156, (9), A730-A736, (2009).

"Synthesis, short range structure and electrochemical properties of new phases in the Li-Mn-N-O system", J. Cabana, N. Dupré, F. Gillot, A. V. Chadwick, C.P. Grey, M. R. Palacín, Inorg. Chem., 48 (12), 5141-5143 (2009).

"A One-Step Mechanochemical Route to Core−Shell Ca2SnO4 Nanoparticles Followed by 119Sn MAS NMR and 119Sn Mössbauer Spectroscopy", V. Sepelak and K.D. Becker, I. Bergmann and S. Suzuki, S. Indris, A. Feldhoff and P. Heitjans, C.P. Grey, Chem. Mater., 21, (12), 2518-2524, (2009)

"Lithium salt of tetrahydroxybenzoquinone: toward the development of a sustainable Li-ion battery", H. Chen, M. Armand, M. Courty, M. Jiang, C.P. Grey, F. Dolhem, J.-M. Tarascon, and P. Poizot, J. Am. Chem. Soc., 131 (25), 1984-8988, (2009).

"Searching for Microporous, Strongly Basic Catalysts: Experimental and Calculated 29Si NMR Spectra of Heavily Nitrogen-Doped Y Zeolites", F. Dogan, K.D. Hammond, G.A. Tompsett, H. Huo, W.C. Conner Jr., S.M. Auerbach, and C.P. Grey, J. Am. Chem. Soc.,131, (31), 11062-11079, (2009).

"Low Temperature 1H MAS NMR Spectroscopy Studies of Proton Motion in Zeolite HZSM-5", H. Huo, L. Peng and C.P. Grey, J. Phys. Chem. C, 113, (19), 8211-1219, (2009).

"Application of high-energy X-rays and Pair-Distribution-Function analysis to nano-scale structural studies in catalysis", P.J. Chupas, K.W. Chapman, H. Chen, C.P. Grey, Catalysis Today, 145, 213-219, (2009).

"Searching for Microporous, Strongly Basic Catalysts: Experimental and Calculated 29Si NMR Spectra of Heavily Nitrogen-Doped Y Zeolites", F. Dogan, K.D. Hammond, G.A. Tompsett, H. Huo, W.C. Conner, Jr., S.M. Auerbach and C.P. Grey, J. Am. Chem. Soc., 131, (31), 11062-11079, (2009).

"Enhancing MQMAS of low γ nuclei by usinga high B1 field balanced probe circuit", Z. Gan, P. Gor’kov, W. Brey, P. Sideris, and C.P. Grey, J. Mag. Reson. , 2-5, (2009)

"Solid-State NMR in Biological and Materials Physics", C.P. Grey and R. Tycko, Physics Today, 44-49, (2009).


"Determination and Quantification of the Local Environments in Stoichiometric and Defect Jarosite by Solid-State 2H NMR Spectroscopy," U. Gro Nielsen, J. Majzlan, and C. P. Grey, Chem. Mater. 20, 2234-2241 (2008).

"Local Environments and Lithium Adsorption on the Iron Oxyhydroxides Lepidocrocite (γ-FeOOH) and Goethite (a-FeOOH): a 2H and 7Li Solid State MAS NMR Study", J. Kim, U. Gro Nielsen, Clare P. Grey, J. Am. Chem. Soc., 130, 1285-1295 (2008).

"Tuning the Structural and Physical Properties of Cr2Ti3Se8 by Lithium Intercalation: A Study of the Magnetic Properties, Investigation of Ion Mobility with NMR Spectroscopy and Electronic Band Structure Calculations", J. Wontcheu, W. Bensch, M. Wilkening, P. Heitjans, S. Indris, P. Sideris, C.P. Grey, S. Mankovsky, H. Ebert, J. Am. Chem. Soc., 130, 288-299 (2008).

"17O MQMAS NMR studies of zeolite HY", L. Peng, H. Huo, Z. Gan and C. P. Grey, Microporous Mesoporous Mater.,109, 156-162, (2008).

"Molten Salt Synthesis and High Rate Performance of the "Desert-Rose" form of LiCoO2", H. Chen and C. P. Grey, Adv. Mater., 20, 2206-2210 (2008).

"Pressure-Induced Polymerization of Diiodobutadiyne in Assembled Co-Crystals", C. Wilhelm, S. A. Boyd, S. Chawda, F. W. Fowler, N. S. Goroff, G. P. Halada, C. P. Grey, J. W. Lauher, L. Luo, C. D. Martin, J.B. Parise, C. Tarabrella, and J. A. Webb, J. Am. Chem. Soc.,130, 4415-4420 (2008).

"Diphosphine Probe Molecules and Solid-State NMR Investigations of Proximity between Acidic Sites in Zeolite HY", Microporous Mesoporous Mater., L. Peng and C. P. Grey, 116, 277-283 (2008).

"Variable Temperature 17O NMR Study of Oxygen Motion in the Anionic Conductor Bi26Mo10O69", L. Holmes, L. Peng, I. Heinmaa, L. A. O'Dell, M. E. Smith, R.-N. Vannier, and C. P. Grey, Chem. Mat., 20, (11), 3638-3648 (2008).

"A versatile sample-environment cell for non-ambient X-ray scattering experiments", P. J. Chupas, K. W. Chapman, C. Kurtz, J. C. Hanson, P. L. Lee, C. P. Grey, J. Applied. Cryst., 41, 822-824 (2008).

"Mg/Al Ordering in Layered Double Hydroxides Revealed by Multinuclear NMR Spectroscopy", P. J. Sideris, U. -G. Nielsen, Z. Gan, C. P. Grey, Science, 321, 113-117 (2008).

"Poly(diiododiacetylene): Preparation, Isolation, and Full Characterization of a Very Simple Poly(diacetylene)", L. Luo, C. Wilhelm, A. Sun, C. P. Grey, J. W. Lauher, and N. S. Goroff, J. Am. Chem. Soc., 130 (24), 7702-7709, (2008).

"Spectroscopic Signatures of Nitrogen-Substituted Zeolites", K. D. Hammond, F. Dogan, G. A. Tompsett, V. Agarwal, W. C. Conner, C. P. Grey, and S. M. Auerbach, J. Am. Chem. Soc., 130 (45), 14912 - 14913 (2008).

"The Formation of a Complete solid solution between the Triphylite and Fayalite Olivine Structures", N. Recham, M. Casas-Cabanas, J. Cabana, C. P. Grey, J.C. Jumas, M. Armand, & J-M. Tarascon, Chem. Mat. 20 (21), 6798-6809 (2008).


"Similarities in 2- and 6-Line Ferrihydrite Based on Pair Distribution Function Analysis of X-ray Total Scattering", Michel, F. M.; Ehm, L.; Celestian, A. J.; Schoonen, M. A. A.; Parise, J. B.; Liu, G.; Strongin, D. R.; Antao, S. M.; Chupas, P. J.; Lee, P. L.; Knorr, K.; Eulert, H.; Kim, J.; Grey, C. P.; Han, W. Q.; Gillow, J. Chem. Mater., 19, 1489-1496 (2007).

"Layered LixNiyMnyCo1-2yO2 cathodes for lithium ion batteries: Understanding local structure via magnetic properties", N. A. Chemova, M. Ma, J. Xiao, M. S. Whittingham, J. Breger, C. P. Grey, Chem. Mater., 19, 4682-4693 (2007).

"Characterization of defects and the local environment in natural and synthetic Alunite (K, Na, H3O)Al3(SO4)2(OH)6 by multi-nuclear solid-state NMR spectroscopy", U. Gro Nielsen, J. Majzlan, B. Phillips, M. Ziliox, and C. P. Grey, Am. Miner., 92, 587-597 (2007).

"17O Magic Angle Spinning NMR Studies of Brønsted Acid Sites in Zeolites HY and HZSM-5, L. Peng, H. Huo, Y. Liu, and C. P. Grey, J. Am. Chem. Soc., 129, 335-346 (2007).

"The structural evolution of layered LixMnyO2: a combined neutron, NMR and electrochemical study", A. R. Armstrong, A. J. Patterson, N. Dupre, C. P. Grey, and P. G. Bruce, Chem. Mater., 19, 1016-1023, (2007).

"17O NMR studies of local structure and phase evolution for materials in the Y2Ti2O7-ZrTiO4 tie-line" J. L. Palumbo, T. A. Schaedler, L. Peng, C. G. Levi, and C. P. Grey, J. Solid St. Chem., 180, 2175-2185 (2007).

"Chemistry for a sustainable future", V. H. Grassian, G. Meyer, H. Abruña, L. E. Achenie, T. Allison, B. Brunschwig, G. W. Coates, J. Ferry, M. Garcia-Garibay, J. Gardea-Torresdey, C. P. Grey, J. Hutchison, C. -J. Li, C. Liotta, S. Minteer, K. Mueller, A. Ragauskas, J. Roberts, O. Sadik, R. Schmehl, W. Schneider, A. Selloni, P. Stair, J. Stewart, D. Thorn, J. Tyson, B. Voelker, J. M. White, and F. Wood-Black, Environmental Health and Technology, 41, 4840-4846 (2007).

"NMR, PDF and RMC Study of the Positive Electrode Material Li(NiMn)0.5O2 Synthesized by Ion-Exchange Methods", J. Bréger, K. Kang, J. Cabana, G. Ceder and C. P. Grey, J. Mater. Chem., 17, 3167-3174 (2007).

"Changes in the Cation Ordering of Layered O3 LixNi0.5Mn0.5O2 During Electrochemical Cycling to High Voltages: An Electron Diffraction Study" H.H. Li, N. Yabuuchi, Y.S. Meng, S. Kumar, J. Breger, C.P. Grey, Y. Shao-Horn, Chem. Mater., 19, 2551- 2565 (2007).

"Cation ordering in Li[NixMnxCo(1-2x)]O2-Layered Cathode Materials: A Nuclear Magnetic Resonance (NMR), Pair Distribution Function, X-ray Absorption Spectroscopy, and Electrochemical Study", D. Zeng, J. Cabana, J. Breger, W.-S. Yoon, and C. P. Grey, Chem. Mater.,19, 6277-6289 (2007).

"Watching Nanoparticles Grow: The Mechanism and Kinetics for the Formation of TiO2-Supported Platinum Nanoparticles", P. J. Chupas, K. W. Chapman, G. Jennings, P. L. Lee and Clare P. Grey, J. Am. Chem. Soc., (Communication), 129, (45), 13822-13824, (2007). Highlighted as an "Editors' Choice" in Science, November 9, p. 889 (2007).

"Report from the third workshop on future directions of solid-state chemistry: The status of solid-state chemistry and its impact in the physical sciences," M.G. Kanatzidis, K.R. Poeppelmeier, S. Bobev, A.M. Guloy, S.-J. Hwu, A. Lachgar, S.E. Latturner, S.E. Raymond, D.-K. Seo, S.C. Sevov, A. Stein, B. Dabrowski, J.E. Greedan, M. Greenblatt, C.P. Grey, A.J. Jacobson, D.A. Keszler, J.Li, M.A. Subramanian, Y.Xia, T. Cagin, U. Haeussermann, T. Hughbanks, S.D. Mahanti, D.Morgan, D.-K. Seo, N.A. Spaldin, W.E. Buhro, D.E. Giammar, J.A. Hollingsworth, D.C. Johnson, A.J. Nozik, X. Peng, R.L. Bedard, N.E. Brese, G. Cao, S.S. Dhingra, C.R. Kagan, D.B. Mitzi, M.J. Geselbracht, G.C. Lisensky, M.W. Lufaso, P.A. Maggard, M. O'Keefe, A.P. Wilkinson, H.C. zur Loye, T. Egami, J.E. Greedan, J.P. Hodges, J.D. Martin, J.B. Parise, B.H. Toby, T.A. Vanderah, P.C. Burns, J.Y. Chan, A.E. Meyer, C.B. Murray, A.P. Ramirez, M.D. Ward, L. Yu, M. Alario-Franco, P.D. Battle, T. Bein, C.L. Cahill, P.S. Halasyamani, A. Maignan, R. Seshadri, Prog. Solid State Chem., 36, 1-133 (2007).


"Li1+aV3O8 gels: a new insight: Part II: from xerogel to the anhydrous material", M. Dubarry, J. Gaubicher, D. Guyomard, N. Steunou, J. Livage, N. Dupré, C. P. Grey, Chem. Mater.18, 629-636 (2006).

"Structural Chemistry of Ln2BaLiRuO7 (Ln = La, Pr)", P. D. Battle, C. P. Grey, J. A. Rodgers, and J. Sloan, Solid St. Sciences, 8, 280-288 (2006).a

"Electrodes with High Power and High Capacity for Rechargeable Li Batteries," K. Kang, Y. S. Meng, J. Breger, C. P. Grey and G. Ceder, Science, 311, 977-980 (2006).

"Lithiation of ramsdellite-pyrolusite MnO2; NMR, XRD, TEM and electrochemical investigation of the discharge mechanism, W. Bowden, C. P. Grey, S. Hackney, F. Wang, Y. Paik, N. Iltchev, R. Sirotina, J. Power Sources, 153, 265-273 (2006).

"LiNi0.5+dMn0.5+dO2 - A High-rate, High Capacity Cathode for Lithium Rechargeable Batteries", S. B. Shougaard, J. Bréger, M. Jiang, C. P. Grey and J. B. Goodenough, Adv. Mat., 18, 905-909 (2006).

"Octahedral tilt instability of ReO3-type crystals", P. B. Allen, Y. R. Chen, S. Chaudhuri, C. P. Grey, Phys. Rev. B, 73, 172102 (2006).

"An atomistic MD simulation and pair-distribution-function study of disorder and reactivity of a-AlF­3 nanoparticles", S. Chaudhuri, P. J. Chupas, B. J. Morgan, P. A. Madden and C. P. Grey, Phys. Chem. Chem. Phys, 8, 5045 - 5055 (2006).

"The effect of high voltage on the structure and electrochemistry of LiNi0.5Mn0.5O2; A joint experimental and theoretical study", J. Bréger, Y. S. Meng, Y. Hinuma, S. Kumar, Y. Shao-Horn, G. Ceder and C. P. Grey, Chem. Mater., 18, 4768 - 4781 (2006).

"Layered Oxysulfides Sr2MnO2Cu2m-0.5Sm+1 (m = 1, 2 and 3) as Insertion Hosts for Li-Ion Batteries", S. Indris, J. Cabana, O. J. Rutt, S. J. Clarke and C. P. Grey, J. Am. Chem. Soc., 128, 13354 - 13355 (2006).


"High Field Multinuclear NMR Investigation of the SEI Layer in Lithium Rechargeable Batteries", B. M. Meyer, N. Leifer, S. G. Greenbaum, and C. P. Grey, Electrochem. Solid St. Lett., A145-148 (2005).

"Detection of Brønsted acid sites in zeolite HY with high field 17O MAS NMR techniques", L. Peng, Y. Liu, N. Kim, J. E. Readman and C. P. Grey, Nature Materials, 4, 215-216 (2005).

"The Effect of Heat-Treatment on Electrolytic Manganese Dioxide (EMD), a 2H and 6Li MAS NMR Study", Y. Paik, W. Bowden, T. Richards, and C. P. Grey, J. Electrochem. Soc., 152, A1539 (2005).

"Detecting Different Oxygen-ion Jump Pathways in Bi2WO6 with 1 and 2-Dimensional 17O MAS NMR Spectroscopy", N. Kim, R. -N. Vannier, and C. P. Grey, Chem. Mater., 17, 1952-1958 (2005).

"Cation Ordering in Layered O3 Li[NixLi1/3-2x/3Mn2/3-x/3]O2 (0 £ x £ 1/2) Compounds", Y. S. Meng, G. Ceder, M. Jiang, J. Bréger, C. P. Grey, Y. Shao-Horn, Chem. Mater., 17, 2386-2394 (2005).

"Sol Gel Synthesis of Li+V3O8. 1. From Precursors to Xerogel", M. Dubarry, J. Gaubicher, D. Guyomard, O. Durupthy, N. Steunou, J. Livage, N. Dupré, and C. P. Grey, Chem. Mater., 17, 2276-2283 (2005).

"Effect of A-site cation radius on ordering of BX6 octahedra in (K,Na)MgF3 perovskite", C. D. Martin, S. Chaudhuri, C. P. Grey, J. B. Parise, Am. Miner., 90, 1522-1533 (2005).

"Ex situ NMR and neutron diffraction study of lithium battery materials: Li7MnN4, a case study", J. Cabana, N. Dupré, G. Rousse, C.P. Grey, M.R. Palacín, Solid St. Ionics, 176, 2205-2218 (2005).

"Short and Long Range Order in the Positive Electrode Material Li(NiMn)0.5O2; a Joint X-ray and Neutron Diffraction, Pair Distribution Function Analysis and NMR Study", J. Bréger, N. Dupré, P. J. Chupas, P. L. Lee, T. Proffen, J. B. Parise and C. P. Grey, J. Am. Chem. Soc, 127, (20), 7529-7537 (2005).

"High Resolution X-ray Diffraction, DIFFaX, NMR and First Principles Study of Disorder in the Li2MnO3 - Li(NiMn)1/2O2 Solid Solution", J. Breger, M. Jiang, N. Dupré, Y. S. Meng, Y. Shao-Horn, G. Ceder, C. P. Grey, J. Solid State Chem., 178, 2575-2585, (2005).

"Lithium Manganese Oxynitride: alternative electrode material for lithium ion batteries", J. Cabana, N. Dupré, C. P. Grey, M. T. Caldes, G. Subias-Peruga, M. R. Palacin, J. Electrochem Soc., A52, A2266-2255 (2005).

"Phase evolution in the YO1.5-TiO2-ZrO2 system around the pyrochlore region" T.A. Schaedler, W. Francillon, A.S. Gandhi, C.P. Grey, S. Sampath, C. G. Levi, Acta Materialia 53, 2957-2968 (2005).

"Structural Chemistry and Magnetic Properties of Nd2BaLiRuO7", J. A. Rodgers, P. D. Battle, C. P. Grey, J. Sloan, Chem. Mater. 17, 4362-4373 (2005).

"Investigating Sorption on Iron-Oxyhydroxide Soil Minerals by Solid-State NMR Spectroscopy: A 6Li MAS NMR Study of Adsorption and Absorption on Goethite", U. G. Nielsen, Y. Paik, K. Julmis, M. A. A. Schoonen, R. J. Reeder, and C. P. Grey, J. Phys. Chem. B, 109, 18310-18315 (2005).

"Dynamic Effects in MAS and MQMAS NMR Spectra of Half-Integer Quadrupolar Nuclei: Calculations and an Application to the Double Perovskite Cryolite", M. Kotecha, S. Chaudhuri, C. P. Grey, L. Frydman, J. Am. Chem. Soc. 127, 16701-16712 (2005).

"Investigation of the Charge Compensation Mechanism on the Electrochemically Li-Ion Deintercalated Li1-xCo1/3Ni1/3Mn1/3O2 Electrode System by a Combination of Soft and Hard X-ray Absorption Spectroscopy", W. -S. Yoon, M. Balasubramanian, K. Y. Chung, X. -Q. Yang, J. McBreen, C. P. Grey, D. A. Fischer, J. Am. Chem. Soc., 127, 17479-17487 (2005).


"Study of the nature and mechanism of the rhombohedral to cubic phase transition in a-AlF3 with molecular dynamics simulations", S. Chaudhuri, P. Chupas, M. Wilson, P.A. Madden, C.P. Grey, J. Phys. Chem. B., 108, 3437-3445 (2004).

"Magnetism and structural chemistry of the n=2 Ruddlesden-Popper phase La3LiMnO7" P. D. Battle, J. C. Burley, D. J. Gallon, C. P. Grey, J. Sloan, J. Solid St. Chem., 177, 119-125 (2004).

"Combined NMR and XAS Study on Local Environments and Electronic Structures of Electrochemically Li-Ion Deintercalated Li1-xCo1/3Ni1/3Mn1/3O2 Electrode System" W.-S. Yoon, C. P. Grey, M. Balasubramanian, X. -Q. Yang, D. A. Fischer, and J. McBreen, Electrochem. Solid-St. Lett., 7, A53-A55 (2004).

"Understanding the Crystal Structure of Layered LiNi0.5 Mn 0.5 O2 by Electron Diffraction and Powder Diffraction Simulation", S. Meng, G. Ceder, C.P. Grey, W.-S. Yoon, Y. Shao-Horn Electrochem. Solid-St. Lett., 7, A155-158 (2004).

"Local Structure and Cation Ordering in O3 Lithium Nickel Manganese Oxides with Stoichiometry Li[NixMn(2-x)1/3Li(1-2x)/3]O2: NMR Studies and First Principles Calculations", W.-S. Yoon, S. Iannopollo, C. P. Grey, D. Carlier, J. Gorman, J. Reed and G. Ceder, Electrochem. Solid-St. Lett., 7, A167-A171 (2004).

"Electrochemical and Structural Properties of xLi2M'O3.(1-x)LiMn0.5Ni0.5O2 Electrodes for Lithium Batteries (M' = Ti, Mn, Zr; 0<x< 0.3)" J. -S. Kim, C. S. Johnson, J. T. Vaughey, M. M. Thackeray, S. A. Hackney, W. Yoon, C. P. Grey, Chem. Mater. , 116, 1996 - 2006, (2004).

"Electrochemical Activity of Li in the Transition-Metal Sites of O3 Li[Li(1-2x)/3Mn(2-x)/3Nix]O2", C.P. Grey, W.-S.Yoon, J. Reed and G. Ceder, Electrochem. Solid St. Lett., 7, A270 - 297 (2004).

"2H MAS NMR Studies of Deuterated Goethite (a-FeOOD)" K. E. Cole, Y. Paik, R. J. Reeder, M. Schoonen and C. P. Grey, J. Phys. Chem. B., 108, 6938-6940 (2004).

"Probing Local and Long Range Structure Simultaneously: An In-Situ Study of the High Temperature Phase Transition of a-AlF3," P. J. Chupas, S. Chaudhuri, J. C. Hanson, Xiangyun Qiu, P. L. Lee, S. D. Shastri, S. J. L. Billinge and C. P. Grey, J. Am. Chem. Soc., 126, 4756-4757, (2004). Highlighted in the Annual Report of the Advanced Photon Source, May p. 25-26 (2004).

"2H MAS NMR and Stepped Potential Electrochemical Spectroscopy Studies of the Reduction Mechanisms of g-MnO2 in Zinc Alkaline Primary Batteries", Y. Paik, W. Bowden, T. Richards, R. Sirotina, and C. P. Grey, J. Electrochem. Soc., 151, A998-1011 (2004).

"Surface Modification of Fluorinated Aluminas; Application of Solid State NMR Spectroscopy to the Study of Acidity and Surface Structure", P. J. Chupas and C. P. Grey, J. Catal., 224, (1), 69-79 (2004).

"[Li-Si-O]-MFI: A New Microporous Lithosilicate with the MFI Topology", S.-H. Park, H. Liu, M. Kleinsorge, C. P. Grey, B. H. Toby, J. B. Parise, Chem. Mater., 16, 2605-2614 (2004).

"7Li and 51V MAS NMR study of the electrochemical behavior of Li1+xV3O8", N. Dupré, J. Gaubicher, D. Guyomard and C. P. Grey, Chem. Mater., 16, 2725-2733 (2004).

"Combined Neutron Diffraction, NMR and Electrochemical Investigation of the Layered to Spinel Transformation in LiMnO2", R. Armstrong, N. Dupre, A. J. Paterson, C. P. Grey and P. G. Bruce, Chem. Mater., 16, 3106-3118 (2004).

"Cation and Spin Ordering in the n = 1 Ruddlesden-Popper Phase La2Sr2LiRuO8", J. A. Rodgers, P. D. Battle, N. Dupre, C. P. Grey, J. Sloan, Chem. Mater. 16, 4257-4266 (2004).

"Comparison of the 17O NMR spectra of zeolites LTA and LSX", J. E. Readman, C. P. Grey, M. Ziliox, L. M. Bull, Solid State NMR, 26, 153-159 (2004).

"NMR Studies of Cathode Materials for Lithium-Ion Rechargeable Batteries", C. P. Grey and N. Dupre, Chem. Rev., 104, 4493-4512 (2004).

"Solid State NMR Study of the Anionic Conductor Ca-doped Y2Ti2O7", N. Kim and C. P. Grey, Dalton Trans., 19, 3048 - 3052 (2004).

"Measuring Brønsted Acid Densites in Zeolite HY with Diphosphine Molecules and Solid State NMR Spectroscopy", L. Peng, P. J. Chupas, C. P. Grey, J. Am. Chem. Soc., 126, 12254-12255, (2004). Featured in C&E News "Concentrates", Sept. 27, p22 (2004).

"Syntheses and Structure Determinations of New Organically Templated Scandium Phosphate Frameworks", H. Park, I. Bull, L. Peng, V. Young, Jr., C. P. Grey, and J. B. Parise, Chem. Mater. 16, 5350-5356 (2004).


"Understanding the NMR shifts in layered paramagnetic oxides by using density functional theory calculations", D. Carlier, M. Menetrier, C.P. Grey, C. Delmas, G. Ceder, Phys Rev. B, 67, 174103, (2003).

"A Combined Solid State NMR and Diffraction Study of the Structure and Acidity of Fluorinated Aluminas: Implications for Catalysis," P.J. Chupas, D. R. Corbin, V. N. M. Rao, J.C. Hanson, C.P. Grey, J. Phys. Chem. B., 107, (33), 8327-8336, (2003).

"Reduction of γ-MnO2 in deuterium media; MAS NMR and electrochemical studies" W. Bowden, C. P. Grey, R. Sirotina, T. Richards, F. Wang and Y. Paik, ITE Lett. Batteries, New Technol. Med., 4, 148-157 (2003).

"Structural Chemistry and Magnetic Properties of La2LiRuO6", P.D. Battle, C.P. Grey, M. Hervieu, C. Martin, C.A. Moore, and Y. Paik, J. Solid State Chem., 175, 20-26, (2003).

"Lithium MAS NMR studies of cathode materials for lithium-ion batteries", C.P. Grey and Y.J. Lee, Solid State Sciences, 5, 883-894, (2003).

"In Situ X-ray Absorption Spectroscopic Study on LiNi0.5Mn0.5O2 Cathode Material during Electrochemical Cycling", W. Yoon, C.P. Grey, M. Balasubramanian, X.-Q. Yang, and J. McBreen, Chem. Mater., 15, 3161-3169, (2003).

"17O MAS NMR study of the oxygen local environments in the anionic conductors Y2(B1-xB'x)2O7(B, B'=Sn, Ti, Zr)", N. Kim and C.P. Grey, J. Solid State Chem.,175, 110-115, (2003).

"6Li MAS NMR and in situ X-ray studies of lithium nickel manganese oxides", W.S. Yoon, N. Kim, X.-Q. Yang, J. McBreen and C.P. Grey, J. Power Sources, 119-121, 649-653, (2003).

"Sorptive Reconstruction of the CuAlCl4 Framework upon Reversible Ethylene Binding", R.M. Sullivan, H. Liu, D.S. Smith, J.C. Hanson, D. Osterhout, M. Ciraolo, C.P. Grey, and J.D. Martin, J. Am. Chem. Soc., 125 (36), 11065-11079, (2003).

"Phase, structural and microstructural investigations of plasma sprayed hydroxyapatite coatings", L. Sun, C. Berndt, C.P. Grey, Mat. Sci. Eng. A, A360, 70-84, (2003).

"Hydrothermal Synthesis and Structural Characterization of Four Scandium Phosphate Frameworks", I. Bull, V. Young, S. J. Teat, L. Peng, C.P. Grey, J.B. Parise, Chem. Mater., 15, (20), 3818-3825, (2003).

"Structural and magnetic properties of Li3RuO4", A. Alexander, P.D. Battle, J.C. Burley, D. J. Gallon, C.P. Grey, J. Mater. Chem., 13 (10): 2612-2616, (2003).

"Nuclear Magnetic Resonance Studies of Zeolites", C. P. Grey, Chapter 6 in Handbook of Zeolite Science and Technology, S. M Auerbach, K. A. Carrado, P. K. Dutta, ed., Marcel Dekker, Inc., New York (2003).

"Rapid Acquisition Pair Distribution Function (RA-PDF) Analysis," P. J. Chupas, X. Qiu, J. C. Hanson, P. L. Lee, C. P. Grey, S. J. L. Billinge, J. Applied Cryst. 36, 1342-1347 (2003).


"Cation Ordering and Electrochemical Properties of the Cathode Materials LiZnxMn2-xO4; a 6Li Magic Angle Spinning NMR Spectroscopy and Diffraction Study", Y. J. Lee, S.-H. Park, C. Eng, J.B. Parise and C.P. Grey, Chem. Mat., 14, 194-205, (2002).

"Magnetism and Structural Chemistry of the n = 1 Ruddlesden-Popper Phases La4LiMnO8 and La3SrLiMnO8", J. C. Burley, P.D. Battle, D.J. Gallon. J. Sloan. C.P. Grey, M.J. Rosseinsky, J. Am. Chem. Soc.. 124, 620-628, (2002).

"6Li Magic Angle Spinning NMR Study of the Cathode Materials Li1+aMn2-aO4­d: The Effect of Local Structure on the Electrochemical Properties," Y.J. Lee, and C.P. Grey, J. Electrochem. Soc., 149, A103-A114, (2002).

"Probing Cs+ Cation Accessibility with O2 and 133Cs MAS NMR Spectroscopy", H. Liu and C.P. Grey, Microporous and Mesoporous Mat., 53, 109 -220, (2002).

"Determining the lithium local environments in the lithium manganates LiZn0.5Mn1.5O4 and Li2MnO3 by analysis of the 6Li MAS NMR spinning sideband manifolds", Y. J. Lee, and C.P. Grey, J. Phys. Chem. B, 106, 3576-3582, (2002).

"6Li MAS NMR Studies of the Local Structure and Electrochemical Properties of Cr-doped Lithium Manganese and Lithium Cobalt Oxide Cathode Materials for Lithium-Ion Batteries", C. Pan, Y. J. Lee, B. Ammundsen and C.P. Grey, Chem. Mat, 14, 2289-2299, (2002).

"Probing oxygen motion in disordered anionic conductors with 17O and 51V MAS NMR spectroscopy", N. Kim and C.P. Grey, Science, 297, 1317-1320, (2002).

"Solid-State 93Nb, 19F and 113Cd NMR Study of Niobium Oxyfluorides: Characterization of Local Distortions and Oxygen/Fluorine Ordering", L.-S. Du, R. W. Schurko, N. Kim and C.P. Grey, J. Phys. Chem. A, 106, 7876-7886, (2002).

"Resolving the different dynamics of the fluorine sublattices in the anionic conductor BaSnF4 by using high-resolution MAS NMR techniques", S. Chaudhuri, F. Wang and C. P. Grey, J. Am. Chem. Soc., 124, 11746-11757, (2002).

"Nuclear Magnetic Resonance Studies of Lithium Ion Battery Materials", C.P. Grey and S.G. Greenbaum, MRS Bulletin, 27(8), 613-618, August (2002).

"Investigation of the local structure of the LiNi0.5Mn0.5O2 cathode material during electrochemical cycling by X-ray absorption and NMR spectroscopy", W. S. Yoon, Y. Paik, X.-Q. Yang, M. Balasubramanian, J. McBreen and C.P. Grey, Electrochem. Solid St. Lett, 5, A263-A266, (2002).

"Lithium and Deuterium NMR Studies of Acid-Leached Layered Lithium Manganese Oxides", Y. Paik, C.P. Grey, C.S. Johnson, J.-S. Kim, and M.M. Thackeray, Chem. Mater., 14, 5109-5115, (2002).

"Study of ion-exchanged microporous lithosilicate Na-RUB-29 using synchrotron X-ray single crystal diffraction and 6Li MAS NMR spectroscopy" S.-H. Park, M. Kleinsorge, C.P. Grey and J. B. Parise, J. Solid St. Chem., 167, 310-323, (2002).

"17O MQMAS NMR studies of Na-A and Ca-A", J.E. Readman, N. Kim, M. Ziliox and C.P. Grey, Chem. Commun., 2808-2809, (2002).

"Single-step deposition of Eu-doped Y2O3 phosphor coatings through a precursor plasma spraying technique", P. S. Devi, J. Margolis, J. B. Parise, C. P. Grey and S. Sampath, H. Herman, H. D. Gafney, J. Mater. Res. 17, 2771-2774, (2002).


"Ion Mobility in a-PbF2: a Computer Simulation Study," M. J. Castiglione, M. Wilson, P. A. Madden, and Clare P. Grey, J. Phys.: Cond. Mat, 13, 51-66, (2001).

"Characterization of 93Nb, 19F spin pairs in solid potassium heptafluoroniobate (V) by solid-state 93Nb and 19F NMR", L.-S. Du, R.W. Schurko, K.H. Lim, and C.P. Grey, J. Phys. Chem. A, 105, 760 -768, (2001).

"In-Situ X-ray diffraction and Solid State NMR study of the Fluorination of g-Al2O3 with HCF2Cl" Peter J. Chupas, Michael F. Ciraolo, Jonathan C. Hanson, and Clare P. Grey, J. Am. Chem. Soc., 123, 1694-1702, (2001).

"6Li magic angle spinning NMR study of the cathode material LiNixMn2-xO4: The effect of the Ni-doping on the local structure during charging", Y.J. Lee, C. Eng and C.P. Grey, J. Electrochem. Soc., 148, A249-257, (2001).

"Plasma Fluorination Synthesis of High Surface Area Aluminum Trifluoride from a Zeolite Precursor", J. L. Delattre, P. J. Chupas, C. P. Grey and A. M. Stacy, J. Am. Chem. Soc., 123, 5364-5365, (2001).

"An In-situ X-ray Powder Diffraction Study of the Adsorption of Hydrofluorocarbons in Zeolites", M.F. Ciraolo, J.C. Hanson, P. Norby and C.P. Grey, J. Phys. Chem. B., 105, 2604-2611, (2001).

"Kinetics and mechanism of the b- to a- CuAlCl4 phase transition: at time-resolved 63Cu MAS NMR and powder X-ray diffraction study", H. Liu, R.S. Sullivan, J.C. Hanson, C. P. Grey, J.D. Martin, J. Am. Chem. Soc., 123, 7564-7573, (2001).

"2H MAS NMR Studies of the Manganese Tunnel Structures and Hydroxides Used as Cathode Materials in Primary Batteries", Y. Paik, J. P. Osegovic, F. Wang, W. Bowden, and C. P. Grey, J. Am. Chem. Soc., 123, 9367-9377, (2001).

"Double Resonance NMR and MD Simulations of Hydrofluorocarbon Binding on Faujasite Zeolites NaX and NaY", K.H. Lim, F. Jousse, S. Auerbach and C. P. Grey, J. Phys. Chem. B., 105, 99818, (2001).

"Yttrium aluminum garnet (YAG) films through a precursor plasma spraying technique" S. D. Parukuttyam, J. Margolis, H. Liu, C.P. Grey, S. Sampath, H. Herman, J.B. Parise, J. Ceram. Soc., 84, 1906-1908, (2001).

"An X-ray diffraction and NMR study of the solid-state rubidium exchange of zeolite NH4Y" M.F. Ciraolo, J.C. Hanson, and C.P. Grey, Microporous and Mesoporous Materials, 49, 111-124, (2001).

"Molecular Dynamics Studies of Hydrofluorocarbons in Faujasite-Type Zeolites: Modeling Guest-Induced Cation Migration in Dry Zeolites", E. Jaramillo, C.P. Grey, S.M. Auerbach, J. Phys. Chem. B., 105, 105, 12319-12329, (2001).

"A Combined X-ray and Neutron Powder Refinement and NMR study of Hydrochlorofluorocarbon HCFC-124a (CF2HCF2Cl) Binding on NaX", M.F. Ciraolo, J.C. Hanson, B.H. Toby and C.P. Grey, J. Phys. Chem. B, 105, 12330-12337, (2001).

"Study of fluoride-ion motions in PbSnF4 and BaSnF4 compounds with molecular dynamics simulations and solid state NMR techniques, S. Chaudhuri, M. Castiglione, F. Wang, M. Wilson, P.A. Madden, and C.P. Grey, MRS Proceedings, GG10.9, (2001).


"In support of a depolymerization model for water in sodium aluminosilicate glasses: information from NMR spectroscopy," Q. Zeng, H. Nekvasil, and C.P. Grey, Geochim Cosmochim. Acta, 64, 883-896, (2000).

"6Li and 7Li Magic-Angle Spinning Nuclear Magnetic Resonance and in situ x-ray diffraction studies of the charging and discharging of LixMn2O4 at 4V" Y.J. Lee, F. Wang, S. Mukerjee, J. McBreen, and C.P. Grey, J. Electrochem. Soc., 147, 803-812, (2000).

"19F/23Na multiple quantum cross polarization NMR in solids", K.H. Lim and C.P. Grey, J. Chem. Phys., 112, 7490-7504, (2000).

"Determining the structure of trimethylphosphine bound to the Brønsted acid site in zeolite HY: double resonance NMR and ab-initio studies", H.-M. Kao, H. Liu, and C.P. Grey, J. Phys. Chem. B., 104, 4923-4933, (2000).

"Characterization of Extra-framework Cation Positions in Zeolites NaX and NaY with Very Fast 23Na MAS and Multiple Quantum MAS NMR Spectroscopy", K. H. Lim and C. P. Grey, J. Am. Chem. Soc., 122, 9768-9780, (2000).

"19F/23Na double resonance MAS NMR study of oxygen/fluorine ordering in the oxyfluoride Na5W3O9F5", L.-S. Du, A. Samoson, T. Tuherm and C.P. Grey, Chem. Mater, 12(12); 3871-3878, (2000).

"6Li MAS NMR study of electron correlations, magnetic ordering and stability of lithium manganese (III) oxides", Y.J. Lee and C.P. Grey, Chem. Mater. 12(12); 3611-3616, (2000).

"A new porous lithosilicate with a high ionic conductivity and ion-exchange capacity", S.-H. Park, J.B. Parise, H. Gies, H. Liu, C.P. Grey and B.H. Toby, J. Am. Chem. Soc., 122(44); 11023-11024, (2000).


"Hydrochlorofluorocarbon reactivity and structural characterization of cation-exchanged ZnX", M.F. Ciraolo, P. Norby, C.P. Grey, J.C. Hanson, D.R. Corbin, Proc. 12th IZC, 2295-2300, (1999).

"Hydrofluorocarbon zeolite interactions: double resonance NMR and X-ray diffraction studies", C.P. Grey, K.-H. Lim, P. Norby and M.F. Ciraolo, Proc. 12th IZC, 2301-2308, (1999).

"NMR studies of oxygen-zeolite interactions at low temperatures", H. Liu, H.-M. Kao, and C.P. Grey, Proc. 12th IZC, 2317-2324, (1999).

"Hydrochlorofluorocarbon reactivity and structural characterization of cation-exchanged ZnX," M.F. Ciraolo, P. Norby, J.C. Hanson, D.R. Corbin, C.P. Grey, J. Phys. Chem. B, 103, 346-356, (1999).

"A Raman spectroscopy study of the separation of hydrofluorocarbons using zeolites", M.K. Crawford, K.D. Dobbs, R.J. Smalley, D.R. Corbin, N. Maliszewskyj, T.J. Udovic, R.R. Cavanagh, J.J. Rush and C.P. Grey, J. Phys. Chem. B, 103, 431-434, (1999).

"Adsorption of hydrofluorocarbons HFC-134 and HFC-134a on X and Y zeolites: effect of ion-exchange on selectivity and heat of adsorption", S. Savitz, F.R. Siperstein, R. Huber, S.M. Tieri, R.J. Gorte, A.L. Myers, C.P. Grey, and D.R. Corbin, J. Phys. Chem., 103, 8283-8289, (1999).

"1H MAS and 1H/27Al TRAPDOR NMR studies of oxygen-zeolite interactions at low temperatures: probing Bronsted-acid site accessibility", H. Liu, H.-M. Kao and C.P. Grey, J. Phys. Chem., 103, 4786-4796, (1999).

"High-order spin-diffusion mechanisms in 19F 2-D NMR experiments of oxyfluorides", L.-S. Du and C.P. Grey, M.H. Levitt, J. Magn. Reson., 140, 242-249, (1999).

"Proton environments in hydrous aluminosilicate glasses: A 1H MAS, 1H/27 Al and 1H/23Na TRAPDOR NMR study," Q. Zeng, H. Nekvasil, C.P. Grey, J. Phys. Chem., 103,7406-7415, (1999).

"Triple quantum cross-polarization NMR of 1H/27Al and 19F/23Na spin systems in solids", K.H. Lim and C.P. Grey, Chem. Phys. Lett., 312, 45-56, (1999).

"6Li and 7Li MAS NMR and in situ x-ray diffraction studies of lithium manganate cathode materials," Y.J. Lee, F. Wang, C.P. Grey, S. Mukerjee, J. McBreen, Mater. Res. Soc. Symp. Proc., 548, 197-202, (1999).

"Structural studies and order-disorder phenomenon in a series of new quaternary tellurates of the type A2+2M4+Te6+06 and A21+M4+Te6+06," P.M. Woodward, A.W. Sleight, L.-S. Du, and C.P. Grey, J. Solid State Chem, 147, 99-116, (1999).


"Cation migration in zeolites. An in-situ X-ray powder diffraction and MAS NMR study of the dehydration of zeolite CsY", P. Norby, F.I. Poshni, A.F. Gualtieri, J.C. Hanson, and C.P. Grey, J. Phys. Chem. B, 102, 839-856, (1998).

"A 1- and 2-D 19F MAS NMR Study of Fluoride-Ion Mobility in a PbF2", F.Wang and C.P. Grey, J. Am. Chem. Soc., 120, 970-980, (1998).

"Detection and estimation of the number of Brønsted acid sites within NaY and NaX", V.J. Rao, D.L. Perlstein, R.J. Robbins, P.H. Lakshminarasimhan, H.-M. Kao, C.P. Grey, and V. Ramamurthy", J.C.S., Chem. Commun., 269, (1998).

"Optimizing the 13C/14N REAPDOR NMR experiment: a theoretical and experimental study", Y.Ba, H.M.Kao, C.P. Grey, L. Chopin and T. Gullion, J. Magn. Reson. 133, 104-114, (1998).

"Activation conditions play a key role in the activity of zeolite CaY: NMR and product studies of Brønsted acidity," H.-M.Kao, C.P. Grey, K.Pitchumani, P.H. Lakshminarasimhan and V. Ramamurthy, J. Phys. Chem., 102, 5627-5638, (1998).

"INEPT experiments involving quadrupolar nuclei in solids", H.-M. Kao and C.P. Grey, J. Magn. Reson., 133, 313-323, (1998).

"19F/23Na cross-polarization NMR study of hydrofluorocarbon-zeolite binding on zeolite NaY, K.H. Lim and C.P. Grey, J.C.S. Chem. Commun, 2257-2258, (1998).

"Probing the defect structure of anion-excess Ca1-xYxF2+x(x=0.03-0.32) with high resolution 19F MAS NMR," F. Wang and C.P. Grey, Chem. Mat., 10, 3081-3091, (1998).

"High-resolution solid state 19F MAS and 19F-113Cd REDOR NMR study of oxygen/fluorine ordering in oxyfluorides", L.S. Du, F. Wang and C.P. Grey, J. Solid State Chem., 140, 285-294, (1998).

"Energy transfer, proton transfer and electron transfer reactions within zeolites, V. Ramamurthy, P. H. Lakshminarasimhan, C.P. Grey, L.J. Johnston, J.C.S. Chem. Commun, 2411, (1998).

"Analysis of the anisotropic dimension in the RIACT (II) multiple quantum MAS NMR experiment for I = 3/2 Nuclei", K.H. Lim and C.P. Grey, Solid State NMR, 13, 101-112 (1998).

"6Li MAS NMR studies of lithium manganate cathode materials", Y.J. Lee, F.Wang and C.P. Grey, J. Am. Chem. Soc., 120, 12601-12613 (1998).


"Determination of the 31P-27Al J-coupling constant of trimethylphosphine bound to the Lewis Acid site in Zeolite HY", H.M. Kao and C.P. Grey, J. Am. Chem. Soc.,119, 627-628, (1997).

"Combined MAS NMR and X-ray powder diffraction structural characterization of hydrofluorocarbon-134 adsorbed on zeolite NaY: Observation of cation migration and strong sorbate-cation interactions", C.P. Grey, F.I. Poshni, A. Gualtieri, P. Norby, J.C. Hanson, D.R. Corbin, J. Am. Chem. Soc., 119, 1981-1989, (1997).

"Probing the mechanism of fluoride-ion conduction in LaF3and strontium-doped LaF3with high resolution 19F MAS NMR", F. Wang and C.P. Grey, Chem. Mat., 9, 1069-1071, (1997).

"Solid State NMR spectroscopy of non-integer spin nuclei" in "New Trends in Materials Chemistry", C.P. Grey, NATO ASI Series, C498, (1997).


"Probing the Bronsted and Lewis acidity of zeolite HY: A 1H/27Al and 15N/27Al TRAPDOR NMR study of monomethylamine adsorbed on HY", H.-M. Kao and C.P. Grey, J. Phys. Chem., 100, 5105-5117, (1996).

"Synthesis and structure of KIn(PO4)(OH): chains of hydroxide-bridged InO4(OH)2octahedra", J.A. Hriljac, C.P. Grey, A.K. Cheetham, P.D. VerNooy and C.C. Torardi, J. Solid State Chem., 123, 243-248, (1996).

"NMR studies of the hydrofluorocarbon-cation interactions and cation migrations on adsorption of hydrofluorocarbon-134 on zeolites NaY and CsY", C.P. Grey, F.I.Poshni, Y. Ba, and D.R. Corbin, Mater. Res. Soc. Symp. Proc., (Microporous and Macroporous Materials), 431, 177-184, (1996).

"Characterization of the Lewis acid sites in zeolite HY, with probe molecule trimethylphosphine and 31P/27Al double resonance NMR", H.M. Kao and C.P. Grey, Chem. Phys. Letters, 259, 459-464, (1996).

"A study of the mobility of poly(methyl methacrylate) silicate interpenetrating networks with 2H NMR", C.P. Grey and K.G. Sharp, Mater. Res. Soc. Symp. Proc. (Better Ceramics Through Chemistry VII), 179-185, (1996).


"14N population transfers in 2-dimensional 13C/14N/1H MAS triple resonance NMR", C.P. Grey, A.P.A.M. Eyckelboom and W.S. Veeman, Solid St. Nuclear Mag. Reson. 4, 113-120, (1995).

"Pr2Sn2O7and Sm2Sn2O7as high-temperature shift thermometers in variable-temperature 119Sn Mas NMR", G.-J.M.P. van Moorsel, E.R.H. van Eck and C.P. Grey, J. Magn. Reson. A. 113, 159-163, (1995).

"High resolution solid state 19F MAS NMR study of ionic motion in a PbF2", F. Wang and C.P. Grey, J. Am. Chem. Soc., 117, 6637-6638, (1995).

"Determination of the quadrupole coupling constant of the invisible aluminum spins in zeolite HY with 1H/27Al TRAPDOR NMR", C.P. Grey and A.J. Vega, J. Am. Chem. Soc., 117, 8232-8242, (1995).

"15N/27Al double resonance study of monomethylamine adsorbed on Zeolite HY", C.P. Grey and B.S.A. Kumar, J. Am. Chem. Soc., 117, 9071-9072, (1995).

"A 19F and 27Al MAS NMR study of the dehydrofluorination reaction of hydrofluorocarbon-134 over basic faujasite zeolites", C.P. Grey and D.R. Corbin, J. Phys. Chem., 99, 16821-16823, (1995).

"NMR studies of hydrofluorocarbon-zeolite interactions", C.P. Grey and D.R. Corbin, Studies in Surface Science and Catalysis (J.Weitkamp, H.G.Karge, H.Pfeifer, W.Hölderich Eds.), 98, 89-90, (1995).

"Neutron and Raman spectroscopies of 134 and 134a hydrofluorocarbons encaged in Na-X zeolite", T.J.Udovic, J.M.Nicol, R.R. Cavanagh, J.J. Rush, M.K. Crawford, C.P. Grey and D.R. Corbin, Mater. Res. Soc. Symp. Proc. 376 (Neutron Scattering in Materials Science II), 751-756, (1995).

"Nucleation in lithium disilicate glass: The role of Q species distribution", Q. Zeng, H. Nekvasil, and C.P. Grey, (Trans. Am. Geophys. Union 76), No. 46, F661, (1995).


"Population Transfers for NMR of Quadrupolar Spins in Solids", J.Haase, M.S.Conradi, C.P. Grey and A.J. Vega, J. Mag. Reson., 109 (A), 90-97, (1994).


"Temperature-dependent solid state 119Sn MAS NMR of Nd2Sn2O7, Sm2Sn2O7 and Y1.8Sm0.2Sn2O7: three sensitive chemical shift thermometers", C.P. Grey, C.M. Dobson and A.K. Cheetham, J. Magn. Reson., 101(A), 299-306, (1993).

"Rotational echo 14N/13C/1H triple resonance solid-state nuclear magnetic resonance: A probe of 13C-14N internuclear distances", C.P. Grey, A.J. Vega and W.S. Veeman, J. Chem. Phys., 98, 7711-7725, (1993).

"Paramagnetic ions as structural probes in Solid State NMR: Distance Measurements in Crystalline Lanthanide Acetates", A.R. Brough, C.P. Grey and C.M. Dobson, J. Am. Chem. Soc., 115, 7318-7327, (1993).


"Multiple frequency decoupling in the Magic Angle Spinning NMR of paramagnetic solids", D.P. Raleigh, C.P. Grey, N. Soffe, C.M. Dobson, J. Magn. Reson., 97, 162-170, (1992).

"Structural information from NMR studies of paramagnetic solids; 23Na MAS NMR spectra of sodium lanthanide salts of ethylenediaminetetraacetic acid", A.R. Brough, C.P. Grey and C.M. Dobson, J.C.S. Chem. Comm., 742-743, (1992).

"The detection of weak heteronuclear coupling between quadrupole and spin-1/2 nuclei in MAS NMR; 14N/13C/1H triple resonance experiments", C.P. Grey and W.S.Veeman, Chem. Phys Lett., 192, 379-385, (1992).

"Susceptibility matching in MAS NMR; the determination of hyperfine tensors from paramagnetic stannates", C.P. Grey, C.M. Dobson and A.K. Cheetham, J. Magn. Reson., 98, 414-420, (1992).

"Uranium Bioaccumulation by a citrobacter sp. as a result of enzymically mediated growth of polycrystalline HUO2PO4", L.E. Macaskie, R.M. Empson, A.K. Cheetham, C.P. Grey, A.J. Skarnulis, Science, 257, 782-784, (1992).

"Solid state 2H and 15N NMR studies of 2-aminoethylferrocene and its intercalation compounds with the layered host lattices MoO3, a-Zr (HPO4)2.H2O and 2H-TaS2", S. Mason, L.M. Bull, C.P. Grey, S.J. Heyes and D. O'Hare, J. Mat. Science ,11, 1189-1194, (1992).


"Study on the reaction mechanism of methanol conversion to hydrocarbons by solid state NMR and gas chromatography on a SAPO-34 catalyst", Y. Xu, C.P. Grey, J.M. Thomas, A.K. Cheetham, Catal. Sci. Technol., Proc. Tokyo Conf., Eds. Yoshida, S.; Takezawa, N.; Ono, T. (1991).

"Isomorphous substitution in KTiOPO4: a powder diffraction and Magic Angle Spinning NMR study of (K2Na2)TiOPO4and (Rb2Na2)TiOPO4", S.J.Crennell, J.J.Owen, C.P.Grey, A.K.Cheetham, J.A.Kaduk, R.H.Jarman, J. Mat. Chem., 1, 113-119, (1991).

"Structure of cobaltacene in SnS2: a single crystal solid state 2H NMR study", C.P. Grey, J.S.O. Evans, S.J. Heyes, D. O'Hare, J.C.S. Chem Comm., 1380-1382, (1991).


"High resolution 13C MAS NMR spectra of paramagnetic lanthanide complexes", A.N. Clayton, C.M. Dobson, C.P. Grey, J.C.S. Chem Comm., 72-74, (1990).

"Paramagnetic shifts in the 89Y MAS NMR of rare-earth doped yttrium pyrochlores", C.P. Grey, M.E. Smith, A.K. Cheetham, C.M. Dobson, R. Dupree, J. Am. Chem. Soc., 112, 4670-4675, (1990).

"Selective oxidation of methane to synthesis gas using transition metal catalysts", A.T. Ashcroft, A.K. Cheetham, M.L.H. Green, C.P. Grey, K. Nestor, J.S. Foord, A.K. Murrell, P.D.F. Vernon, Nature (London), 344, 319-321, (1990).

"An investigation of the conversion of methanol to hydrocarbons over a SAPO-34 catalyst using Magic-Angle Spinning NMR and gas chromatography", Y. Xu, C.P. Grey, J.M. Thomas and A.K. Cheetham, Catal. Lett., 4, 251-260, (1990).

"ESR and solid state MAS NMR study of the silica-supported H3+nPVnMo12-nO40 (n=0,1,2,3) Heteropolyacids", E.M. Serwicka and C.P. Grey, Colloids and Surfaces, 45, 69-82, (1990).


"Studies of rare-earth stannates by 119Sn MAS NMR. The use of paramagnetic shifts probes in the solid state", C.P. Grey, C.M. Dobson, A.K. Cheetham and R.J.B. Jakeman, J. Am. Chem. Soc., 111, 505-511, (1989).

"The selective oxidation of methane by tin-containing rare-earth pyrochlores", A. Ashcroft, A.K. Cheetham, M.L.H. Green, C.P. Grey, P.D. Vernon, J.C.S. Chem. Comm., 1667-1669, (1989).


Paramagnetic shift probes in high-resolution solid-state NMR", A.K. Cheetham, C.M. Dobson, C.P. Grey, R.J.B. Jakeman, Nature (London), 328, 706 - 707, (1987).

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