Bio


The focus of our research is on fundamental issues of structure and dynamics in crystalline, glassy, and liquid silicates and oxides, and on glass-forming liquids in general. Our goal is to relate experimental measurements of atomic-scale processes to macroscopic properties of interest to the earth sciences (including mineralogy, igneous and metamorphic petrology, volcanology and geochemistry), materials sciences, and physical chemistry. Much of what we do lies at the interface between geochemistry and materials science. The major research tool in our group at this time is Nuclear Magnetic Resonance (NMR) Spectroscopy. We have two fully-equipped labs for most sorts of modern solid-state high and low resolution NMR experiments. An unusual feature of the lab is our capability to do in-situ, high T studies up to about 1500 deg C.

Academic Appointments


Administrative Appointments


  • Chairman, Dept. of Geological and Environmental Sciences (2009 - 2012)
  • Chariman, Dept. of Geological and Environmental Sciences (1999 - 2004)
  • Professor by Courtesy Materials Science and Engineering, Stanford University (1997 - Present)
  • Professor Geological & Environmental Sciences, Stanford University (1996 - Present)
  • Associate Dean for Academic Affairs, School of Earth Sciences (1996 - 1999)
  • Associate Professor Geological & Environmental Sciences, Stanford University (1993 - 1996)
  • Associate Professor of Geology, Stanford University (1990 - 1993)
  • Assistant Professor of Geology, Stanford University (1985 - 1990)
  • Postdoctoral Fellow, Lawrence Berkeley Laboratory (1984 - 1985)

Honors & Awards


  • Bunsen Medal, European Geosciences Union (2009)
  • Geochemistry Fellow, Geochemical Society and European Association of Geochemistry (2009)
  • Fellow in Undergraduate Education, Bass University (2003-2008)
  • G.W. Morey Award, Glass and Optical Materials Division of the American Ceramic Society (1995)
  • Mineralogical Society of America Award, Mineralogical Society of America (1992)
  • Fellow, Mineralogical Society of America (1990)
  • Fellow, American Geophysical Union (19--)
  • Fellow, American Ceramic Society (19--)
  • Member, National Science Foundation, Presidential Young Investigators (1986-1991)
  • Graduate Fellow, National Science Foundation (1977 - 1980)

Boards, Advisory Committees, Professional Organizations


  • Member, School of Earth Sciences Computer Committee, Stanford University (1987 - 1999)
  • Associate Editor, American Mineralogist (1990 - 1999)
  • Freshman Advisor, Stanford University (1991 - 1999)
  • Member, Earth Systems Steering Committee, Stanford University (1991 - 2002)
  • Organizer (with D. Dingwell and P. McMillan), MSA Short Course "Structure, Dynamics and Properties of Silicate Melts" (1995 - 1995)
  • Councillor, Mineralogical Society of America (1995 - 1997)
  • University Undergraduate Advisory Council, Stanford University (1996 - 1999)
  • Associate Dean for Academic Affairs, School of Earth Sciences, Stanford University (1996 - 1999)
  • Member, Earth Sciences Council, Stanford University (1996 - 2007)
  • Faculty Senate, Stanford University (1997 - 1999)
  • Chairman, Dept. of Geological & Environmental Sciences, Stanford University (1999 - 2004)
  • Invited speaker, International Silicate Melts Workshop (1999 - 1999)
  • Invited speaker:, Conference on NMR in Earth Sciences, Cambridge University (2000 - 2000)
  • Invited Speaker, Corning Science Fellows Conference; Goldschmidt Conference in Geochemistry; ACS Rocky Mountain Conference on Analytical Chemistry; Varian NMR User's Conference; NSF Workshop on Solid-State Chemistry; Varian, Inc. NMR Group Seminar (2001 - 2001)
  • Marsh O'Neill Award Committee, Stanford Univesity (2001 - 2001)
  • Member, Materials Council, Stanford University (2002 - 2006)
  • Member, Judicial Affairs Board, Stanford University (2002 - 2003)
  • Invited Speaker, American Ceramic Society National Meeting; Goldschmidt Conference on Geochemistry; International Mineralogical Association; Virginia Polytechnic Institute (2002 - 2002)
  • Invited Speaker, Goldschmidt Conference on Geochemistry (2003 - 2003)
  • Invited speaker, American Ceramic Society, Glass and Optical Materials Mtg.; AGU session on melt structure and properties; Plenary lecture: European Conference on Mineralogy and Spectroscopy (2004 - 2004)
  • Chairman, School Undergraduate Program Committee, Stanford University (2004 - 2005)
  • Invited Speaker, COMPRES workshop on high pressure melts, Albuquerque NM;Saint-Gobaine Glass Research Center, Paris; Centre de Recherche sur les MatÈriaux a Haute Temperature, OrlÈans, France; Symposium on Structure and Properties of Silicate Glasses and Melts, Institut de Physique du Globe de Paris (2005 - 2005)
  • Member, NSF review panel (2005 - 2005)
  • Invited seminar, Centre de Recherche sur les Matriaux a Haute Temperature, Orleans, France (2005 - 2005)
  • Humgrove Lecturer, University of Utrecht (2005 - 2005)
  • Invited speaker, European Geophysical Union (2005 - 2005)
  • Committee of Visitors, NSF Division of Materials Research (2005 - 2005)
  • Plenary speaker, Silicate Melt Workshop, Ludwig-Maximilians-University, Munich (2005 - 2005)
  • Guest Editor (with Roberto Moretti and Pascal Richet), Silicate Melts volume of "Chemical Geology" (2005 - 2005)
  • Invited speaker, International Mineralogical Association conference; Materials Research Society national meeting (2006 - 2006)
  • Guest editor (with G. Henderson and G. Calas), "Glasses and Melts" issue of "Elements" magazine (2006 - 2006)
  • Allan Cox Medal committee, Stanford University (2007 - 2007)
  • Invited Speaker, Canadian Society of Chemistry annual mtg., 5th Alpine NMR conference, 8th Silicate Melt Workshop, DOE Geofluids Workshop (2007 - 2007)
  • Invited Speaker, Rocky Mountain Conference on Analytical Chemistry (2008 - 2008)
  • Member, Nanoscale Sciences and Engineering Shared Facilities Program Committee (2008 - Present)
  • Chairman, Dept. of Geological and Environmental Sciences, Stanford University (2009 - 2012)
  • Member, University Committee on Postdoctoral Scholars, Stanford University (2009 - 2010)
  • Invited speaker, European Geosciences Union (Bunsen Medal Lecture); U.C. Davis, Dept. of Geology; PacRim Conference on Ceramic and Glass Technology; Institut de Physique du Globe, Paris; IUPAC Int. Conf. on High Temperature Chemistry (2009 - 2009)
  • Invited speaker, Glass and Optical Materials Div., American Ceramic Society, annual mtg.; keynote speaker, Goldschmidt Conference on Geochemistry (2010 - 2010)
  • Invited speaker, Glass and Optical Materials Div., American Ceramic Society, annual mtg.; NSF Workshop on Emerging Research in Ceramics, Carbon, Glasses and Composites; Vaughan Symposium, Rocky Mt. Conference on Analytical Chemistry; AGU annual mtg (2012 - 2012)
  • keynote speaker, Goldschmidt Conference on Geochemistry; (2012 - 2012)
  • Member, School of Earth Sciences Council, Stanford University (2012 - Present)
  • Member, Faculty Senate Committee on Undergraduate Standards and Policy (C-USP), Stanford University (2012 - Present)

Professional Education


  • PhD, UC Berkeley, Geology (1983)
  • M.A., University of California, Berkeley, Geology (1980)
  • A.B., Harvard University, Geological Sciences (1977)

Current Research and Scholarly Interests


Research
My research is focused on the measurement of the structure and dynamics in (mostly) inorganic materials, with the goal of understanding and predicting their thermodynamic and transport properties. These in turn fundamentally control a wide range of geological and technological phenomena. My students, postdocs, and I work primarily on disordered materials, including minerals, glassy and molten silicates and oxides, and ceramics. Our primary research tool is nuclear magnetic resonance (NMR). The materials that we study come from the natural laboratory of the Earth or are synthesized in our own labs. The problems that we address are tied to large-scale processes in geology and geophysics, as well as to those in high-tech industries. Among the former are the mechanisms of viscous flow in magmas and of solid solution in minerals from the crust to the lower mantle; among the latter are the optimization of glasses for flat screen computer displays and optical data transmission and of oxide ceramics for fuel cells.

Teaching
I have long taught a course in introductory geochemistry for undergrads at the beginnings of their careers in Earth sciences. Topics range from the formation of the chemical elements in stellar interiors, to high pressure and temperature phase equilibria, to aqueous solution chemistry, formation of oil and coal, and even the origin of life. At the advanced level I give a course on thermodynamics and structure of minerals and melts aimed at all graduate students who work with these "geomaterials." Recently I have begun teaching a course for advanced undergrads and for grad students on igneous processes.

Professional Activities
Geochemical Society Fellow (2009); European Geosciences Union Bunsen Medal (2009); American Ceramic Society Morey Award (1995); Mineralogical Society of America Award (1992); NSF Presidential Young Investigator (1986-91); associate dean, School of Earth Sciences (1996-1999); chair, GES (1999-2004); participation in professional societies, scientific conferences, and proposal and journal reviews in geochemistry, geophysics, mineralogy, inorganic chemistry, glass science, ceramics, and solid-state NMR

2013-14 Courses


Journal Articles


  • Modifier cation (Ba,Ca,La,Y) field strength effects on aluminum and boron coordination in aluminoborosilicate glasses: the role of fictive temperature and boron content App. Phys. A Morin, E. I., Wu, J., Stebbins, J. F. 2014
  • (31)P magic angle spinning NMR study of flux-grown rare-Earth element orthophosphate (monazite/xenotime) solid solutions: evidence of random cation distribution from paramagnetically shifted NMR resonances. Inorganic chemistry Palke, A. C., Stebbins, J. F., Boatner, L. A. 2013; 52 (21): 12605-12615

    Abstract

    We present (31)P magic angle spinning nuclear magnetic resonance spectra of flux-grown solid solutions of La(1-x)Ce(x)PO4 (x between 0.027 and 0.32) having the monoclinic monazite structure, and of Y(1-x)M(x)PO4 (M = V(n+), Ce(3+), Nd(3+), x between 0.001 and 0.014) having the tetragonal zircon structure. Paramagnetically shifted NMR resonances are observed in all samples due to the presence of paramagnetic V(n+), Ce(3+), and Nd(3+) in the diamagnetic LaPO4 or YPO4. As a first-order observation, the number and relative intensities of these peaks are related to the symmetry and structure of the diamagnetic host phase. The presence of paramagnetic shifts allows for increased resolution between NMR resonances for distinct atomic species which leads to the observation of low intensity peaks related to PO4 species having more than one paramagnetic neighbor two or four atomic bonds away. Through careful analysis of peak areas and comparison with predictions for simple models, it was determined that solid solutions in the systems examined here are characterized by complete disorder (random distribution) of diamagnetic La(3+) or Y(3+) with the paramagnetic substitutional species Ce(3+) and Nd(3+). The increased resolution given by the paramagnetic interactions also leads to the observation of splitting of specific resonances in the (31)P NMR spectra that may be caused by local, small-scale distortions from the substitution of ions having dissimilar ionic radii.

    View details for DOI 10.1021/ic401757z

    View details for PubMedID 24131129

  • Tunable plasticity in amorphous silicon carbide films. ACS applied materials & interfaces Matsuda, Y., Kim, N., King, S. W., Bielefeld, J., Stebbins, J. F., Dauskardt, R. H. 2013; 5 (16): 7950-7955

    Abstract

    Plasticity plays a crucial role in the mechanical behavior of engineering materials. For instance, energy dissipation during plastic deformation is vital to the sufficient fracture resistance of engineering materials. Thus, the lack of plasticity in brittle hybrid organic-inorganic glasses (hybrid glasses) often results in a low fracture resistance and has been a significant challenge for their integration and applications. Here, we demonstrate that hydrogenated amorphous silicon carbide films, a class of hybrid glasses, can exhibit a plasticity that is even tunable by controlling their molecular structure and thereby leads to an increased and adjustable fracture resistance in the films. We decouple the plasticity contribution from the fracture resistance of the films by estimating the "work-of-fracture" using a mean-field approach, which provides some insight into a potential connection between the onset of plasticity in the films and the well-known rigidity percolation threshold.

    View details for DOI 10.1021/am402046e

    View details for PubMedID 23876200

  • Interactions between network cation coordination and non-bridging oxygen abundance in oxide glasses and melts: Insights from NMR spectroscopy CHEMICAL GEOLOGY Stebbins, J. F., Wu, J., Thompson, L. M. 2013; 346: 34-46
  • Oxide ion speciation in potassium silicate glasses: New limits from O-17 NMR JOURNAL OF NON-CRYSTALLINE SOLIDS Stebbins, J. F., Sen, S. 2013; 368: 17-22
  • Temperature and modifier cation field strength effects on aluminoborosilicate glass network structure JOURNAL OF NON-CRYSTALLINE SOLIDS Wu, J., Stebbins, J. F. 2013; 362: 73-81
  • Interactions between composition and temperature effects on non-bridging oxygen and high-coordinated aluminum in calcium aluminosilicate glasses American Mineralogist Thompson, L. M., Stebbins, J. F. 2013; 98: 1980-1987
  • 31P MAS-NMR study of flux-grown rare-earth element orthophosphate (monazite/xenotime) solid solutions: evidence for random cation distribution from paramagnetically shifted NMR resonances Inorg. Chem. Palke, A. C., Stebbins, J. F., Boatner, L. A. 2013; 52: 12605-12615
  • The effects of annealing on the structure of ion beam sputtered amorphous tantalum oxide Journal of Non-Crystalline Solids Kim, N., Stebbins, J. F. 2013
  • Challenges in Ceramic Science: A Report from the Workshop on Emerging Research Areas in Ceramic Science JOURNAL OF THE AMERICAN CERAMIC SOCIETY Rohrer, G. S., Affatigato, M., Backhaus, M., Bordia, R. K., Chan, H. M., Curtarolo, S., Demkov, A., Eckstein, J. N., Faber, K. T., Garay, J. E., Gogotsi, Y., Huang, L., Jones, L. E., Kalinin, S. V., Lad, R. J., Levi, C. G., Levy, J., Maria, J., Mattos, L., Navrotsky, A., Orlovskaya, N., Pantano, C., Stebbins, J. F., Sudarshan, T. S., Tani, T., Weil, K. S. 2012; 95 (12): 3699-3712

    View details for DOI 10.1111/jace.12033

    View details for Web of Science ID 000312145600001

  • Incorporation of Fe and Al in MgSiO3 perovskite: An investigation by Al-27 and Si-29 NMR spectroscopy AMERICAN MINERALOGIST Palke, A. C., Stebbins, J. F., Frost, D. J., McCammon, C. A. 2012; 97 (11-12): 1955-1964
  • Estimating accuracy of O-17 NMR measurements in oxide glasses: Constraints and evidence from crystalline and glassy calcium and barium silicates JOURNAL OF NON-CRYSTALLINE SOLIDS Thompson, L. M., McCarty, R. J., Stebbins, J. F. 2012; 358 (22): 2999-3006
  • Properties of impurity-bearing ferrihydrite I. Effects of Al content and precipitation rate on the structure of 2-line ferrihydrite GEOCHIMICA ET COSMOCHIMICA ACTA Cismasu, A. C., Michel, F. M., Stebbins, J. F., Levard, C., Brown, G. E. 2012; 92: 275-291
  • Non-stoichiometric non-bridging oxygens and five-coordinated aluminum in alkaline earth aluminosilicate glasses: Effect of modifier cation size JOURNAL OF NON-CRYSTALLINE SOLIDS Thompson, L. M., Stebbins, J. F. 2012; 358 (15): 1783-1789
  • Natural hydrous amorphous silica: Quantitation of network speciation and hydroxyl content by Si-29 MAS NMR and vibrational spectroscopy AMERICAN MINERALOGIST Chemtob, S. M., Rossman, G. R., Stebbins, J. F. 2012; 97 (1): 203-211
  • High-temperature in situ B-11 NMR study of network dynamics in boron-containing glass-forming liquids JOURNAL OF NON-CRYSTALLINE SOLIDS Wu, J., Potuzak, M., Stebbins, J. F. 2011; 357 (24): 3944-3951
  • Temperature calibration for high-temperature MAS NMR to 913 K: Cu-63 MAS NMR of CuBr and CuI, and Na-23 MAS NMR of NaNbO3 SOLID STATE NUCLEAR MAGNETIC RESONANCE Wu, J., Kim, N., Stebbins, J. F. 2011; 40 (2): 45-50

    Abstract

    The solid-state phase transitions of CuBr, CuI and NaNbO(3) can be readily observed using (63)Cu and (23)Na high-temperature magic-angle spinning nuclear magnetic resonance spectroscopy. Temperature has large, linear effects on the peak maximum of (63)Cu in each solid phase of CuBr and CuI, and there is large jump in shift across each phase transition. The (23)Na MAS NMR peak intensities and the line widths in NaNbO(3) also clearly show its high-temperature transition to the cubic phase. These data can be used to calibrate high-temperature MAS NMR probes up to 913 K, which is two hundred degrees higher than the commonly-used temperature calibration based on the chemical shift of (207)Pb in Pb(NO(3))(2).

    View details for DOI 10.1016/j.ssnmr.2011.04.004

    View details for Web of Science ID 000295020700003

    View details for PubMedID 21546224

  • Structure of Amorphous Tantalum Oxide and Titania-Doped Tantala: O-17 NMR Results for Sol-Gel and Ion-Beam-Sputtered Materials CHEMISTRY OF MATERIALS Kim, N., Stebbins, J. F. 2011; 23 (15): 3460-3465

    View details for DOI 10.1021/cm200630m

    View details for Web of Science ID 000293357100010

  • Paramagnetic interactions in the P-31 NMR spectroscopy of rare earth element orthophosphate (REPO4, monazite/xenotime) solid solutions AMERICAN MINERALOGIST Palke, A. C., Stebbins, J. F. 2011; 96 (8-9): 1343-1353
  • Variable-temperature Al-27 and Si-29 NMR studies of synthetic forsterite and Fe-bearing Dora Maira pyrope garnet: Temperature dependence and mechanisms of paramagnetically shifted peaks AMERICAN MINERALOGIST Palke, A. C., Stebbins, J. F. 2011; 96 (7): 1090-1099
  • Raman, Brillouin, and nuclear magnetic resonance spectroscopic studies on shocked borosilicate glass JOURNAL OF APPLIED PHYSICS Manghnani, M. H., Hushur, A., Sekine, T., Wu, J., Stebbins, J. F., Williams, Q. 2011; 109 (11)

    View details for DOI 10.1063/1.3592346

    View details for Web of Science ID 000292214700030

  • Non-bridging oxygen and high-coordinated aluminum in metaluminous and peraluminous calcium and potassium aluminosilicate glasses: High-resolution O-17 and Al-27 MAS NMR results AMERICAN MINERALOGIST Thompson, L. M., Stebbins, J. F. 2011; 96 (5-6): 841-853
  • Quench rate and temperature effects on boron coordination in aluminoborosilicate melts JOURNAL OF NON-CRYSTALLINE SOLIDS Wu, J., Stebbins, J. F. 2010; 356 (41-42): 2097-2108
  • Silicon coordination in rutile and TiO2-II at ambient and high pressures: Si-29 NMR AMERICAN MINERALOGIST Mosenfelder, J. L., Kim, N., Stebbins, J. F. 2010; 95 (7): 968-973
  • Probing the electrical properties of highly-doped Al:ZnO nanowire ensembles JOURNAL OF APPLIED PHYSICS Noriega, R., Rivnay, J., Goris, L., Kaelblein, D., Klauk, H., Kern, K., Thompson, L. M., Palke, A. C., Stebbins, J. F., Jokisaari, J. R., Kusinski, G., Salleo, A. 2010; 107 (7)

    View details for DOI 10.1063/1.3360930

    View details for Web of Science ID 000276795400081

  • Effects of e-beam curing on glass structure and mechanical properties of nanoporous organosilicate thin films INTERNATIONAL JOURNAL OF MATERIALS RESEARCH Gage, D. M., Peng, L., Stebbins, J., Yim, K. S., Al-Bayati, A., Demos, A., Dauskardt, R. H. 2010; 101 (2): 228-235

    View details for DOI 10.3139/146.110275

    View details for Web of Science ID 000275653100008

  • Structural response of a highly viscous aluminoborosilicate melt to isotropic and anisotropic compressions JOURNAL OF CHEMICAL PHYSICS Wu, J., Deubener, J., Stebbins, J. F., Grygarova, L., Behrens, H., Wondraczek, L., Yue, Y. 2009; 131 (10)

    View details for DOI 10.1063/1.3223282

    View details for Web of Science ID 000269814800030

  • Simultaneous aluminum, silicon, and sodium coordination changes in 6 GPa sodium aluminosilicate glasses AMERICAN MINERALOGIST Kelsey, K. E., Stebbins, J. F., Mosenfelder, J. L., Asimow, P. D. 2009; 94 (8-9): 1205-1215
  • Confirmation of octahedrally coordinated phosphorus in AlPO4-containing stishovite by P-31 NMR EUROPEAN JOURNAL OF MINERALOGY Stebbins, J. F., Kim, N., Brunet, F., Irifune, T. 2009; 21 (4): 667-671
  • Cation field strength effects on high pressure aluminosilicate glass structure: Multinuclear NMR and La XAFS results GEOCHIMICA ET COSMOCHIMICA ACTA Kelsey, K. E., Stebbins, J. F., Singer, D. M., Brown, G. E., Mosenfelder, J. L., Asimow, P. D. 2009; 73 (13): 3914-3933
  • Forsterite, hydrous and anhydrous wadsleyite and ringwoodite (Mg2SiO4): Si-29 NMR results for chemical shift anisotropy, spin-lattice relaxation, and mechanism of hydration AMERICAN MINERALOGIST Stebbins, J. F., Smyth, J. R., Panero, W. R., Frost, D. J. 2009; 94 (7): 905-915
  • Effects of cation field strength on the structure of aluminoborosilicate glasses: High-resolution B-11, Al-27 and Na-23 MAS NMR JOURNAL OF NON-CRYSTALLINE SOLIDS Wu, J., Stebbins, J. F. 2009; 355 (9): 556-562
  • Forsterite, wadsleyite, and ringwoodite (Mg2SiO4): Si-29 NMR constraints on structural disorder and effects of paramagnetic impurity ions AMERICAN MINERALOGIST Stebbins, J. F., Panero, W. R., Smyth, J. R., Frost, D. J. 2009; 94 (4): 626-629
  • Effects of the degree of polymerization on the structure of sodium silicate and aluminosilicate glasses and melts: An O-17 NMR study GEOCHIMICA ET COSMOCHIMICA ACTA Lee, S. K., Stebbins, J. F. 2009; 73 (4): 1109-1119
  • Sc-2(WO4)(3) and Sc-2(MoO4)(3) and Their Solid Solutions: Sc-45, O-17, and Al-27 MAS NMR Results at Ambient and High Temperature CHEMISTRY OF MATERIALS Kim, N., Stebbins, J. F. 2009; 21 (2): 309-315

    View details for DOI 10.1021/cm8024632

    View details for Web of Science ID 000262605200019

  • THE DIVERSITY OF NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY BIOPHYSICS AND THE CHALLENGES OF EMERGING THREATS Liu, C. W., Alekseyev, V. Y., Allwardt, J. R., Bankovich, A. J., Cade-Menun, B. J., Davis, R. W., Du, L., Garcia, K. C., Herschlag, D., Khosla, C., Kraut, D. A., Li, Q., Null, B., Puglisi, J. D., Sigala, P. A., Stebbins, J. F., Varani, L. 2009: 65-81
  • Characterization of Phase Separation and Thermal History Effects in Magnesium Silicate Glass Fibers by Nuclear Magnetic Resonance Spectroscopy JOURNAL OF THE AMERICAN CERAMIC SOCIETY Stebbins, J. F., Kim, N., Andrejcak, M. J., Boymel, P. M., Zoitos, B. K. 2009; 92 (1): 68-74
  • Anomalous resonances in Si-29 and Al-27 NMR spectra of pyrope ([Mg,Fe](3)Al2Si3O12) garnets: effects of paramagnetic cations PHYSICAL CHEMISTRY CHEMICAL PHYSICS Stebbins, J. F., Kelsey, K. E. 2009; 11 (32): 6906-6917

    Abstract

    In oxide and silicate materials, particularly naturally-occurring minerals with contents of iron oxides greater than a few percent, paramagnetic impurities are well-known to broaden MAS NMR peaks, decrease relaxation times, and even cause overall loss of signal intensity. However, detection of resolved, discrete peaks that are shifted in frequency by nearby unpaired electron spins is rare in such systems. We report here high-resolution (27)Al and (29)Si spectra for synthetic and natural samples of pyrope garnet ([Mg,Fe](3)Al(2)Si(3)O(12)), the latter containing up to 3.5 wt% FeO. For both nuclides, spectra contain anomalous NMR peaks at frequencies that are 25 to 200 ppm from normal ranges, possibly through pseudocontact shifts induced by paramagnetic cations. Quantitation of peak areas suggests that signals from nuclides with such cations in their first shell may be broadened enough to be unobservable, while those with paramagnetics in their second cation shells may be substantially shifted. Overall spin-lattice relaxation rates are greatly enhanced by such impurities, and shifted resonances relax much faster than the unshifted main peaks. A high symmetry crystal structure (in this case cubic), which limits the number of different cation-cation distances in each shell, combined with a relatively low (non-cubic) symmetry for the sites hosting the magnetic cations, may be needed to readily detect such features.

    View details for DOI 10.1039/b904731j

    View details for Web of Science ID 000268676700004

    View details for PubMedID 19652824

  • Temperature effects on the network structure of oxide melts and their consequences for configurational heat capacity CHEMICAL GEOLOGY Stebbins, J. F. 2008; 256 (3-4): 80-91
  • Ca-Mg mixing in aluminosilicate glasses: An investigation using O-17 MAS and 3QMAS and Al-27 MAS NMR JOURNAL OF NON-CRYSTALLINE SOLIDS Kelsey, K. E., Allwardt, J. R., Stebbins, J. F. 2008; 354 (40-41): 4644-4653
  • Effects of UV cure on glass structure and fracture properties of nanoporous carbon-doped oxide thin films JOURNAL OF APPLIED PHYSICS Gage, D. M., Stebbins, J. F., Peng, L., Cui, Z., Al-Bayati, A., MacWilliams, K. P., M'saad, H., Dauskardt, R. H. 2008; 104 (4)

    View details for DOI 10.1063/1.2968438

    View details for Web of Science ID 000259265100026

  • High resolution O-17 MAS and triple-quantum MAS NMR studies of gallosilicate glasses JOURNAL OF NON-CRYSTALLINE SOLIDS Peng, L., Stebbins, J. F. 2008; 354 (27): 3120-3128
  • Temperature effects on non-bridging oxygen and aluminum coordination number in calcium aluminosilicate glasses and melts GEOCHIMICA ET COSMOCHIMICA ACTA Stebbins, J. F., Dubinsky, E. V., Kanehashi, K., Kelsey, K. E. 2008; 72 (3): 910-925
  • Cation order/disorder behavior and crystal chemistry of pyrope-grossular garnets: An O-17 3QMAS and Al-27 MAS NMR spectroscopic study AMERICAN MINERALOGIST Kelsey, K. E., Stebbins, J. F., Du, L., Mosenfelder, J. L., Asimow, P. D., Geiger, C. A. 2008; 93 (1): 134-143
  • Sodium germanate glasses and crystals: NMR constraints on variation in structure with composition JOURNAL OF NON-CRYSTALLINE SOLIDS Peng, L., Stebbins, J. F. 2007; 353 (52-54): 4732-4742
  • In situ high temperature Al-27 NMR study of structure and dynamics in a calcium aluminosilicate glass and melt JOURNAL OF NON-CRYSTALLINE SOLIDS Kanehashi, K., Stebbins, J. F. 2007; 353 (44-46): 4001-4010
  • Vacancy and cation distribution in yttria-doped ceria: An Y-89 and O-17 MAS NMR study CHEMISTRY OF MATERIALS Kim, N., Stebbins, J. F. 2007; 19 (23): 5742-5747

    View details for DOI 10.1021/cm0715388

    View details for Web of Science ID 000250803900038

  • High temperature O-17 MAS NMR study scandia and yttria stabilized of calcia, magnesia, zirconia SOLID STATE IONICS Kim, N., Hsieh, C., Huang, H., Prinz, F. B., Stebbins, J. F. 2007; 178 (27-28): 1499-1506
  • Scandium-45 NMR of pyrope-grossular garnets: Resolution of multiple scandium sites and comparison with X-ray diffraction and X-ray absorption spectroscopy AMERICAN MINERALOGIST Kim, N., Stebbins, J. F., Quartieri, S., Oberti, R. 2007; 92 (11-12): 1875-1880
  • Germanosilicate and alkali germanosilicate glass structure: New insights from high-resolution oxygen-17 NMR JOURNAL OF NON-CRYSTALLINE SOLIDS Du, L., Peng, L., Stebbins, J. F. 2007; 353 (30-31): 2910-2918
  • Effect of structural transitions on properties of high-pressure silicate melts: Al-27 NMR, glass densities, and melt viscosities AMERICAN MINERALOGIST Allwardt, J. R., Stebbins, J. F., Terasaki, H., Du, L., Frost, D. J., Withers, A. C., Hirschmann, M. M., Suzuki, A., Ohtani, E. 2007; 92 (7): 1093-1104
  • Aluminum substitution in rutile titanium dioxide: New constraints from high-resolution Al-27 NMR CHEMISTRY OF MATERIALS Stebbins, J. F. 2007; 19 (7): 1862-1869

    View details for DOI 10.1021/cm0629053

    View details for Web of Science ID 000245208100044

  • Effect of UV cure on adhesive and cohesive failure of low-k films: Implications for integration ADVANCED METALLIZATION CONFERENCE 2006 (AMC 2006) Gage, D. M., Stebbins, J. F., Dauskardt, R. H. 2007: 327-330
  • Constraining O-17 and Al-27 NMR spectra of high-pressure crystals and glasses: New data for jadeite, pyrope, grossular, and mullite AMERICAN MINERALOGIST Kelsey, K. E., Stebbins, J. F., Du, L., Hankins, B. 2007; 92 (1): 210-216
  • Glasses and melts: Linking geochemistry and materials science ELEMENTS Calas, G., Henderson, G. S., Stebbins, J. F. 2006; 2 (5): 265-268
  • The structure of silicate glasses and melts ELEMENTS Henderson, G. S., Calas, G., Stebbins, J. F. 2006; 2 (5): 269-273
  • Disorder and the extent of polymerization in calcium silicate and aluminosilicate glasses: O-17NMR results and quantum chemical molecular orbital calculations GEOCHIMICA ET COSMOCHIMICA ACTA Lee, S. K., Stebbins, J. F. 2006; 70 (16): 4275-4286
  • Scandium coordination in solid oxides and stabilized zirconia: Sc-45 NMR CHEMISTRY OF MATERIALS Kim, N., Hsieh, C., Stebbins, J. F. 2006; 18 (16): 3855-3859

    View details for DOI 10.1021/cm0605901

    View details for Web of Science ID 000239396900037

  • Oxygen sites and network coordination in sodium germanate glasses and crystals: High-resolution oxygen-17 and sodium-23 NMR JOURNAL OF PHYSICAL CHEMISTRY B Du, L., Stebbins, J. F. 2006; 110 (25): 12427-12437

    Abstract

    Sodium germanate glasses are well-studied materials in which, unlike silicates but analogous to borates, the major structural consequence of alkali addition is generally thought to involve a coordination number increase of the network-forming Ge cations. However, the nature of this change, in particular quantifying fractions of nonbridging oxygens and of five- and/or six-coordinated Ge, has remained unresolved. We present here high-resolution 17O results, including triple-quantum MAS NMR (3QMAS), on a series of crystalline model compounds that allow the definition of ranges of chemical shifts corresponding to oxygens bonded to various coordinations of Ge. These include quartz- and rutile-structured GeO2, Na4Ge9O20, Na2Ge4O9, and Na2GeO3 (germanium dioxide, sodium enneagermanate, sodium tetragermanate, and sodium metagermanate). 3QMAS spectra of Na-germanate glasses ranging from 0% to 27% Na2O clearly show the development of partially resolved peaks as alkali is added, corresponding to signals from nonbridging oxygens (in the highest Na glasses) and to oxygen bridging between one four-coordinated and one higher coordinated Ge. As in conventional models of this system, nonbridging oxygen contents are much lower than in corresponding silicates. Although we do not directly distinguish between five- and six-coordinated Ge, modeling of bridging oxygen populations and comparison with measured speciation suggest that substantial proportions of both species are likely to be present. High-field 23Na MAS NMR shows systematic decreases in mean Na-O bond distance and/or coordination number with increasing alkali content that can be compared with published results for high-temperature liquids. These results, as well as comparison of molar volumes of glasses and high-temperature liquids, suggest the possibility of significant temperature effects on liquid structure.

    View details for DOI 10.1021/jp0615510

    View details for Web of Science ID 000238446900033

    View details for PubMedID 16800569

  • Physics, chemistry and rheology of silicate melts and glasses - Preface CHEMICAL GEOLOGY Moretti, R., Richet, P., Stebbins, J. F. 2006; 229 (1-3): 1-1
  • Quench rate and temperature effects on framework ordering in aluminosilicate melts AMERICAN MINERALOGIST Dubinsky, E. V., Stebbins, J. F. 2006; 91 (5-6): 753-761
  • Aluminum substitution in stishovite and MgSiO3 perovskite: High-resolution Al-27 NMR AMERICAN MINERALOGIST Stebbins, J. F., Du, L. S., Kelsey, K., Kojitani, H., Akaogi, M., Ono, S. 2006; 91 (2-3): 337-343
  • UV curing effects on glass structure and mechanical properties of organosilicate low-k thin films PROCEEDINGS OF THE IEEE 2006 INTERNATIONAL INTERCONNECT TECHNOLOGY CONFERENCE Gage, D. M., Guyer, E. P., Stebbins, J. F., Cui, Z., Al-Bayati, A., Demos, A., MacWilliams, K. P., Dauskardt, R. H. 2006: 149-151
  • The effect of fictive temperature on the structural environment of fluorine in silicate and aluminosilicate glasses JOURNAL OF THE AMERICAN CERAMIC SOCIETY Kiczenski, T. J., Stebbins, J. F. 2006; 89 (1): 57-64
  • The development of a rapid quenching device for the study of the dependence of glass structure on fictive temperature REVIEW OF SCIENTIFIC INSTRUMENTS Kiczenski, T. J., Stebbins, J. F. 2006; 77 (1)

    View details for DOI 10.1063/1.2162751

    View details for Web of Science ID 000234979400017

  • The effect of fictive temperature on the structure of E-glass: A high resolution, multinuclear NMR study JOURNAL OF NON-CRYSTALLINE SOLIDS Kiczenski, T. J., Du, L. S., Stebbins, J. 2005; 351 (46-48): 3571-3578
  • Network connectivity in aluminoborosilicate glasses: A high-resolution B-11, Al-27 and O-17 NMR study JOURNAL OF NON-CRYSTALLINE SOLIDS Du, L. S., Stebbins, J. F. 2005; 351 (43-45): 3508-3520
  • The effect of fictive temperature on Al coordination in high-pressure (10 GPa) sodium aluminosilicate glasses AMERICAN MINERALOGIST Allwardt, J. R., Poe, B. T., Stebbins, J. F. 2005; 90 (8-9): 1453-1457
  • Aluminum coordination and the densification of high-pressure aluminosilicate glasses AMERICAN MINERALOGIST Allwardt, J. R., Stebbins, J. F., Schmidt, B. C., Frost, D. J., Withers, A. C., Hirschmann, M. M. 2005; 90 (7): 1218-1222
  • Site connectivities in sodium aluminoborate glasses: multinuclear and multiple quantum NMR results SOLID STATE NUCLEAR MAGNETIC RESONANCE Du, L. S., Stebbins, J. F. 2005; 27 (1-2): 37-49

    Abstract

    In a series of sodium aluminoborate glasses, we have applied triple-quantum magic-angle spinning (3QMAS) 17O NMR to obtain high-resolution information about the connections among various network structural units, to explore the mixing of aluminum and boron species. Oxygen-17 3QMAS spectra reveal changes in connectivities between AlO4 ([4]Al), AlO5 and AlO6 ([5,6]Al), BO3 ([3]B) and BO4 ([4]B) units, by quantifying populations of bridging oxygens such as Al-O-Al, Al-O-B and B-O-B and of non-bridging oxygens. Several linkages such as [4]Al-O-[4]Al and three-coordinated oxygen associated with [5,6]Al in Al-O-Al, [4]Al-O-[4]B, [4]Al-O-[3]B and [5,6]Al-O-[3]B in Al-O-B as well as [4]B-O-[3]B and [3]B-O-[3]B in B-O-B can be distinguished for the first time. The fractions of these linkages were calculated from models of random mixing and of mixing with maximum avoidance of tetrahedral-tetrahedral linkages. The results suggest that the structure of all of glasses in this study is well approximated by the latter model. However, the energetic "penalty" for formation of [4]Al-O-[4]B may be somewhat less than for [4]Al-O-[4]Al and [4]B-O-[4]B. In general, the new results presented here are similar to those obtained on glasses in this system by 27Al{11B} REDOR NMR (J. Phys. Chem. B 104 (2000) 6541), but provide considerably more detail on network connectivity and ordering schemes.

    View details for DOI 10.1016/j.ssnmer.2004.08.003

    View details for Web of Science ID 000225955000007

    View details for PubMedID 15589726

  • Structural mechanisms of compression and decompression in high-pressure K2Si4O9 glasses: an investigation utilizing Raman and NMR spectroscopy of glasses and crystalline materials CHEMICAL GEOLOGY Allwardt, J. R., Schmidt, B. C., Stebbins, J. F. 2004; 213 (1-3): 137-151
  • Correlated structural distributions in silica glass PHYSICAL REVIEW B Clark, T. M., Grandinetti, P. J., Florian, P., Stebbins, J. F. 2004; 70 (6)
  • F-19NMR study of the ordering of high field strength cations at fluoride sites in silicate and aluminosilicate glasses JOURNAL OF NON-CRYSTALLINE SOLIDS Kiczenski, T. J., Du, L. S., Stebbins, J. F. 2004; 337 (2): 142-149
  • Pressure-induced structural changes in a borosilicate glass-forming liquid: boron coordination, non-bridging oxygens, and network ordering JOURNAL OF NON-CRYSTALLINE SOLIDS Du, L. S., Allwardt, J. R., Schmidt, B. C., Stebbins, J. F. 2004; 337 (2): 196-200
  • Ca-Mg and K-Mg mixing around non-bridging O atoms in silicate glasses: An investigation using O-17 MAS and 3QMAS NMR AMERICAN MINERALOGIST Allwardt, J. R., Stebbins, J. F. 2004; 89 (5-6): 777-784
  • Calcium and strontium hexaluminates: NMR evidence that "pentacoordinate" cation sites are four-coordinated JOURNAL OF PHYSICAL CHEMISTRY B Du, L. S., Stebbins, J. F. 2004; 108 (12): 3681-3685

    View details for DOI 10.1021/jp037615d

    View details for Web of Science ID 000220323500001

  • Structure of Cl-containing silicate and aluminosilicate glasses; a 35Cl MAS-NMR study Geochimica et Cosmochimica Acta Sandland, T. O., Du, L.-S., Stebbins, J. F., Webster, J. D. 2004; 68: 5059-5069
  • Thermodynamic properties of analcime solid solutions AMERICAN JOURNAL OF SCIENCE Neuhoff, P. S., Hovis, G. L., Balassone, G., Stebbins, J. F. 2004; 304 (1): 21-66
  • Site preference and Si/B mixing in mixed-alkali borosilicate glasses: A high-resolution B-11 and O-17 NMR study CHEMISTRY OF MATERIALS Du, L. S., Stebbins, J. F. 2003; 15 (20): 3913-3921

    View details for DOI 10.1021/cm034427r

    View details for Web of Science ID 000185747100028

  • Nature of silicon-boron mixing in sodium borosilicate glasses: A high-resolution B-11 and O-17 NMR study JOURNAL OF PHYSICAL CHEMISTRY B Du, L. S., Stebbins, J. F. 2003; 107 (37): 10063-10076

    View details for DOI 10.1021/jp0340481

    View details for Web of Science ID 000185345400019

  • O-17 and Al-27 MAS and 3QMAS NMR study of synthetic and natural layer silicates CHEMISTRY OF MATERIALS Lee, S. K., Stebbins, J. F., Weiss, C. A., Kirkpatrick, R. J. 2003; 15 (13): 2605-2613

    View details for DOI 10.1021/cm030165h

    View details for Web of Science ID 000183810600017

  • Bonding preferences of non-bridging O atoms: Evidence from O-17 MAS and 3QMAS NMR on calcium aluminate and low-silica Ca-aluminosilicate glasses AMERICAN MINERALOGIST Allwardt, J. R., Lee, S. K., Stebbins, J. F. 2003; 88 (7): 949-954
  • Aluminum substitution in MgSiO3 perovskite: Investigation of multiple mechanisms by Al-27 NMR AMERICAN MINERALOGIST Stebbins, J. F., Kojitani, H., Akaogi, M., NAVROTSKY, A. 2003; 88 (7): 1161-1164
  • The distribution of sodium ions in aluminosilicate glasses: A high-field Na-23 MAS and 3Q MAS NMR study GEOCHIMICA ET COSMOCHIMICA ACTA Lee, S. K., Stebbins, J. F. 2003; 67 (9): 1699-1709
  • Nature of cation mixing and ordering in Na-Ca silicate glasses and melts JOURNAL OF PHYSICAL CHEMISTRY B Lee, S. K., Stebbins, J. F. 2003; 107 (14): 3141-3148

    View details for DOI 10.1021/jp027489y

    View details for Web of Science ID 000182037800009

  • O atom sites in natural kaolinite and muscovite: O-17 MAS and 3QMAS NMR study AMERICAN MINERALOGIST Lee, S. K., Stebbins, J. F. 2003; 88 (4): 493-500
  • Si-Al disorder and solid solutions in analcime, chabazite, and wairakite AMERICAN MINERALOGIST Neuhoff, P. S., Stebbins, J. F., Bird, D. K. 2003; 88 (2-3): 410-423
  • Solid-state NMR study of metastable immiscibility in alkali borosilicate glasses JOURNAL OF NON-CRYSTALLINE SOLIDS Du, L. S., Stebbins, J. F. 2003; 315 (3): 239-255
  • Order/disorder in natrolite group zeolites: A Si-29 and Al-27 MAS NMR study AMERICAN MINERALOGIST Neuhoff, P. S., Kroeker, S., Du, L. S., Fridriksson, T., Stebbins, J. F. 2002; 87 (10): 1307-1320
  • Effect of extraframework species on O-17 NMR chemical shifts in zeolite A MICROPOROUS AND MESOPOROUS MATERIALS Neuhoff, P. S., Shao, P., Stebbins, J. F. 2002; 55 (3): 239-251
  • Dynamics in ceramics SCIENCE Stebbins, J. F. 2002; 297 (5585): 1285-1287

    View details for Web of Science ID 000177573900027

    View details for PubMedID 12193772

  • Fluorine sites in calcium and barium oxyfluorides: F-19NMR on crystalline model compounds and glasses JOURNAL OF NON-CRYSTALLINE SOLIDS Kiczenski, T. J., Stebbins, J. F. 2002; 306 (2): 160-168
  • Disordering during melting: An O-17 NMR study of crystalline and glassy CaTiSiO5 (titanite) AMERICAN MINERALOGIST Kroeker, S., Rice, D., Stebbins, J. F. 2002; 87 (4): 572-579
  • Chloride ion sites in silicate and aluminosilicate glasses: A preliminary study by Cl-35 solid-state NMR AMERICAN MINERALOGIST Stebbins, J. F., Du, L. S. 2002; 87 (2-3): 359-363
  • New opportunities for high-resolution solid-state NMR spectroscopy of oxide materials at 21.1-and 18.8-t fields SOLID STATE NUCLEAR MAGNETIC RESONANCE Stebbins, J. F., Du, L. S., Kroeker, S., Neuhoff, P., Rice, D., Frye, J., Jakobsen, H. J. 2002; 21 (1-2): 105-115

    Abstract

    We present here high-resolution solid state NMR spectra of several oxide and silicate materials that illustrate the improvements obtainable with very high external fields (18.8 and 21.1 T), with probes capable of tuning to a wide frequency range that allow observations of nuclides from high to low magnetogyric ratio. We discuss 27Al MAS spectra for the zeolite scolecite (CaAl2Si3O10 x 3H2O), 17O MAS data for analcime (NaAlSi2O6 x H2O), calcium monoaluminate (CaAI2O4), and titanite (CaTiSiO5), 39K spin-echo spectra for leucite (KAlSi2O6), microline (KAlSiO8), muscovite (KAl2(AlSi3O10)(OH2) and a potassium aluminosolicate glass, and preliminary 73Ge spin-echo MAS spectra for crystalline and glassy germanium dioxide (GeO2).

    View details for DOI 10.1006/snmr.2001.0051

    View details for Web of Science ID 000174305700008

    View details for PubMedID 11949814

  • Extent of intermixing among framework units in silicate glasses and melts GEOCHIMICA ET COSMOCHIMICA ACTA Lee, S. K., Stebbins, J. F. 2002; 66 (2): 303-309
  • Oxygen sites in hydrous aluminosilicate glasses: The role of Al-O-Al and H2O GEOCHIMICA ET COSMOCHIMICA ACTA Oglesby, J. V., Zhao, P. D., Stebbins, J. F. 2002; 66 (2): 291-301
  • Topological disorder and reactivity of borosilicate glasses: Quantum chemical calculations and O-17 and B-11 NMR study JOURNAL OF PHYSICAL CHEMISTRY B Lee, S. K., Musgrave, C. B., Zhao, P. D., Stebbins, J. F. 2001; 105 (50): 12583-12595

    View details for DOI 10.1021/jp012119f

    View details for Web of Science ID 000172945700022

  • An O-17 NMR investigation of crystalline sodium metasilicate: Implications for the determination of local structure in alkali silicates JOURNAL OF PHYSICAL CHEMISTRY B Clark, T. M., Grandinetti, P. J., Florian, P., Stebbins, J. F. 2001; 105 (49): 12257-12265
  • Three-coordinated boron-11 chemical shifts in borates INORGANIC CHEMISTRY Kroeker, S., Stebbins, J. F. 2001; 40 (24): 6239-6246

    Abstract

    Despite the importance of (11)B nuclear magnetic resonance (NMR) in structural studies of borate glasses, no clear means of correlating NMR parameters with the number of nonbridging oxygens on three-coordinate boron has been demonstrated. In this work, a series of anhydrous, polycrystalline, binary borates has been examined by (11)B magic-angle spinning (MAS) NMR to obtain precise measurements of their three-coordinate boron isotropic chemical shifts. The shifts generally increase with the replacement of bridging oxygens by nonbridging oxygens, ranging from 14.6 ppm in crystalline B(2)O(3) to 22.5 ppm in magnesium orthoborate. The underlying physical basis for this trend is satisfactorily accounted for by considering second neighbor effects using bond valence sums. These data are supportive of a structural model for B(2)O(3) glass in which 72% of the boron atoms are in rings. High-field MAS NMR experiments (B(0) = 18.8 T) indicate that the boron shielding is anisotropic, with greater anisotropy measured for three-coordinate borons possessing one or two nonbridging oxygens, than for those with zero or three nonbridging oxygens.

    View details for Web of Science ID 000172181400023

    View details for PubMedID 11703125

  • A solid solution model for Si-Al substitution in disordered FAU and LTA zeolites MICROPOROUS AND MESOPOROUS MATERIALS Neuhoff, P. S., Stebbins, J. F. 2001; 49 (1-3): 139-148
  • Oxygen triclusters in crystalline CaAl4O7 (grossite) and in calcium aluminosilicate glasses: O-17 NMR AMERICAN MINERALOGIST Stebbins, J. F., Oglesby, J. V., Kroeker, S. 2001; 86 (10): 1307-1311
  • Comparison of FAM mixing to single-pulse mixing in O-17 3Q-and 5Q-MAS NMR of oxygen sites in zeolites CHEMICAL PHYSICS LETTERS Zhao, P., Neuhoff, P. S., Stebbins, J. F. 2001; 344 (3-4): 325-332
  • Hydroxyl-contents and hydroxyl-related concentration quenching in erbium-doped aluminophosphate, aluminosilicate and fluorosilicate glasses JOURNAL OF NON-CRYSTALLINE SOLIDS Houde-Walter, S. N., Peters, P. M., Stebbins, J. F., Zeng, Q. 2001; 286 (1-2): 118-131
  • Potassium hydrogen disilicate: A possible model compound for O-17 NMR spectra of hydrous silicate glasses AMERICAN MINERALOGIST Oglesby, J. V., Kroeker, S., Stebbins, J. F. 2001; 86 (3): 341-347
  • The mechanism of solution of aluminum oxide in MgSiO3 perovskite GEOPHYSICAL RESEARCH LETTERS Stebbins, J. F., Kroeker, S., Andrault, D. 2001; 28 (4): 615-618
  • Magnesium coordination environments in glasses and minerals: New insight from high-field magnesium-25 MAS NMR AMERICAN MINERALOGIST Kroeker, S., Stebbins, J. F. 2000; 85 (10): 1459-1464
  • Non-bridging oxygen sites in barium borosilicate glasses: results from B-11 and O-17 NMR JOURNAL OF NON-CRYSTALLINE SOLIDS Zhao, P. D., Kroeker, S., Stebbins, J. F. 2000; 276 (1-3): 122-131
  • Quantification of five- and six-coordinated aluminum ions in aluminosilicate and fluoride-containing glasses by high-field, high-resolution Al-27 NMR JOURNAL OF NON-CRYSTALLINE SOLIDS Stebbins, J. F., Kroeker, S., Lee, S. K., Kiczenski, T. J. 2000; 275 (1-2): 1-6
  • Solid state NMR study of oxygen site exchange and Al-O-Al site concentration in analcime AMERICAN MINERALOGIST Cheng, X., Zhao, P. D., Stebbins, J. F. 2000; 85 (7-8): 1030-1037
  • The structure of aluminosilicate glasses: High-resolution O-17 and Al-27 MAS and 3QMAS JOURNAL OF PHYSICAL CHEMISTRY B Lee, S. K., Stebbins, J. F. 2000; 104 (17): 4091-4100
  • Si-29 CPMAS NMR investigations of silanol-group minerals and hydrous aluminosilicate glasses AMERICAN MINERALOGIST Oglesby, J. V., Stebbins, J. F. 2000; 85 (5-6): 722-731
  • Fluoride sites in aluminosilicate glasses: High-resolution F-19 NMR results AMERICAN MINERALOGIST Zeng, Q., Stebbins, J. F. 2000; 85 (5-6): 863-867
  • Al-O-Al and Si-O-Si sites in framework aluminosilicate glasses with Si/Al=1: quantification of framework disorder JOURNAL OF NON-CRYSTALLINE SOLIDS Lee, S. K., Stebbins, J. F. 2000; 270 (1-3): 260-264
  • Cation ordering at fluoride sites in silicate glasses: a high-resolution F-19 NMR study JOURNAL OF NON-CRYSTALLINE SOLIDS Stebbins, J. F., Zeng, Q. 2000; 262 (1-3): 1-5
  • Hydrogen speciation in hydrogen-loaded, germania-doped silica glass: a combined NMR and FTIR study of the effects of UV irradiation and heat treatment JOURNAL OF NON-CRYSTALLINE SOLIDS Zeng, Q., Stebbins, J. F., Heaney, A. D., Erdogan, T. 1999; 258 (1-3): 78-91
  • Reactive Al-O-Al sites in a natural zeolite: Triple-quantum oxygen-17 nuclear magnetic resonance AMERICAN MINERALOGIST Stebbins, J. F., Zhao, P. D., Lee, S. K., Cheng, X. 1999; 84 (10): 1680-1684
  • Pentacoordinate silicon in high-pressure crystalline and glassy phases of calcium disilicate (CaSi2O5) GEOPHYSICAL RESEARCH LETTERS Stebbins, J. F., Poe, B. T. 1999; 26 (16): 2521-2523
  • Multiple-quantum magic-angle spinning O-17 NMR studies of borate, borosilicate, and boroaluminate classes JOURNAL OF THE AMERICAN CERAMIC SOCIETY Wang, S. H., Stebbins, J. F. 1999; 82 (6): 1519-1528
  • Al-O-Al oxygen sites in crystalline aluminates and aluminosilicate glasses: High-resolution oxygen-17 NMR results AMERICAN MINERALOGIST Stebbins, J. F., Lee, S. K., Oglesby, J. V. 1999; 84 (5-6): 983-986
  • The degree of aluminum avoidance in aluminosilicate glasses AMERICAN MINERALOGIST Lee, S. K., Stebbins, J. F. 1999; 84 (5-6): 937-945
  • Cation clustering and formation of free oxide ions in sodium and potassium lanthanum silicate glasses: nuclear magnetic resonance and Raman spectroscopic findings JOURNAL OF NON-CRYSTALLINE SOLIDS Schaller, T., Stebbins, J. F., Wilding, M. C. 1999; 243 (2-3): 146-157
  • The structural role of lanthanum and yttrium in aluminosilicate glasses: A Al-27 and O-17 MAS NMR study JOURNAL OF PHYSICAL CHEMISTRY B Schaller, T., Stebbins, J. F. 1998; 102 (52): 10690-10697
  • Cation dynamics and premelting in lithium metasilicate (Li2SiO3) and sodium metasilicate (Na2SiO3): A high-temperature NMR study AMERICAN MINERALOGIST George, A. M., Richet, P., Stebbins, J. F. 1998; 83 (11-12): 1277-1284
  • Shocked quartz: A Si-29 magic-angle-spinning nuclear magnetic resonance study AMERICAN MINERALOGIST Fiske, P. S., Nellis, W. J., Xu, Z., Stebbins, J. F. 1998; 83 (11-12): 1285-1292
  • Fast rotational reorientation of NO3- ions and its relation to the glass transition in Ca0.4K0.6(NO3)(1.4) liquid: A N-15 NMR spin-lattice-relaxation study PHYSICAL REVIEW B Sen, S., Stebbins, J. F. 1998; 58 (13): 8379-8383
  • Oxygen speciation in hydrous silicate glasses: An oxygen-17 NMR study JOURNAL OF THE AMERICAN CHEMICAL SOCIETY Xu, Z., Maekawa, H., Oglesby, J. V., Stebbins, J. F. 1998; 120 (38): 9894-9901
  • Cation sites in mixed-alkali oxide glasses: correlations of NMR chemical shift data with site size and bond distance SOLID STATE IONICS Stebbins, J. F. 1998; 112 (1-2): 137-141
  • Structure and dynamics of magnesium in silicate melts: A high-temperature Mg-25 NMR study AMERICAN MINERALOGIST George, A. M., Stebbins, J. F. 1998; 83 (9-10): 1022-1029
  • On the structure of borosilicate glasses: a triple-quantum magic-angle spinning O-17 nuclear magnetic resonance study JOURNAL OF NON-CRYSTALLINE SOLIDS Wang, S. H., Stebbins, J. F. 1998; 231 (3): 286-290
  • Oxygen sites in the zeolite stilbite: a comparison of static, MAS, VAS, DAS and triple quantum MAS NMR techniques SOLID STATE NUCLEAR MAGNETIC RESONANCE Xu, Z., Stebbins, J. F. 1998; 11 (3-4): 243-251

    Abstract

    Static, magic angle spinning (MAS), variable angle spinning (VAS), dynamic angle spinning (DAS) and triple quantum magic angle spinning (3QMAS) NMR techniques were applied to separate and quantify oxygen signals from Al-O-Si and Si-O-Si sites of 17O-enriched samples of the mineral stilbite, a natural zeolite. DAS experiments showed that there was a distribution of quadrupolar coupling constants, asymmetry parameters and isotropic chemical shifts. Two methods were used to study the quantification problem of DAS and 3QMAS. Our results showed that DAS was quantitative. In 3QMAS, signal intensity from sites with larger quadrupolar coupling constants was reduced because of less efficient excitation. All techniques have shown a clear difference in rates of exchange between the two types of sites with interchannel H2O molecules.

    View details for Web of Science ID 000074865600012

    View details for PubMedID 9694393

  • Oxygen site exchange kinetics observed with solid state NMR in a natural zeolite GEOCHIMICA ET COSMOCHIMICA ACTA Xu, Z., Stebbins, J. F. 1998; 62 (10): 1803-1809
  • Temperature dependent structural changes in borate, borosilicate and boroaluminate liquids: high-resolution B-11, Si-29 and Al-27 NMR studies JOURNAL OF NON-CRYSTALLINE SOLIDS Sen, S., Xu, Z., Stebbins, J. F. 1998; 226 (1-2): 29-40
  • Microscopic dynamics and viscous flow in a borosilicate glass-forming liquid JOURNAL OF NON-CRYSTALLINE SOLIDS Stebbins, J. F., Sen, S. 1998; 224 (1): 80-85
  • Na-23 chemical shifts and local structure in crystalline, glassy, and molten sodium borates and germanates SOLID STATE NUCLEAR MAGNETIC RESONANCE George, A. M., Sen, S., Stebbins, J. F. 1997; 10 (1-2): 9-17

    Abstract

    A simple correlation between average Na-O bond length and 23Na isotropic chemical shift in crystalline germanates and borates has been established, similar to existing correlations for sodium in silicates and carbonates. This empirical trend is discussed in terms of a decreasing paramagnetic contribution to the chemical shift with increasing average bond length. The correlation is then applied to data for sodium borate and germanate glasses and melts from room temperature to 1200 degrees C, where both structural and compositional effects on the chemical shift are apparent.

    View details for Web of Science ID 000071881600002

    View details for PubMedID 9472786

  • NMR evidence for excess non-bridging oxygen in an aluminosilicate glass NATURE Stebbins, J. F., Xu, Z. 1997; 390 (6655): 60-62
  • Disorder among network-modifier cations in silicate glasses: New constraints from triple-quantum O-17 NMR AMERICAN MINERALOGIST Stebbins, J. F., Oglesby, J. V., Xu, Z. 1997; 82 (11-12): 1116-1124
  • Anionic species determination in CaSiO3 glass using two-dimensional Si-29 NMR JOURNAL OF PHYSICAL CHEMISTRY B Zhang, P., Grandinetti, P. J., Stebbins, J. F. 1997; 101 (20): 4004-4008
  • Heterogeneous NO3- ion dynamics near the glass transition in the fragile ionic glass former Ca0.4K0.6(NO3)(1.4): A N-15 NMR study PHYSICAL REVIEW LETTERS Sen, S., Stebbins, J. F. 1997; 78 (18): 3495-3498
  • Cross-polarization from quadrupolar nuclei to silicon using low-radio-frequency amplitudes during magic-angle spinning JOURNAL OF PHYSICAL CHEMISTRY B DePaul, S. M., Ernst, M., Shore, J. S., Stebbins, J. F., Pines, A. 1997; 101 (16): 3240-3249
  • Multiple-quantum magic-angle spinning and dynamic-angle spinning NMR spectroscopy of quadrupolar nuclei SOLID STATE NUCLEAR MAGNETIC RESONANCE Wang, S. H., Xu, Z., BALTISBERGER, J. H., Bull, L. M., Stebbins, J. F., Pines, A. 1997; 8 (1): 1-16

    Abstract

    Several aspects of the Multiple-Quantum Magic-Angle Spinning (MQMAS) technique (L. Frydman and J.S. Harwood, J. Am. Chem. Soc., 117 (1995) 5367) are compared with Dynamic-Angle Spinning (DAS). Examples of MQMAS spectra are shown for I = 3/2 nuclei with CQ up to 3.6 MHz, and for 27Al (I = 5/2) with CQ up to 10 MHz. The MQMAS linewidth is largely independent of the magnitude of the homonuclear dipolar interaction, while the spinning sideband manifold is similar to that observed in DAS experiments. MQMAS is technically simple and routinely useful for studying nuclei with short spin-lattice relaxation times, but care must be taken in its use for quantitative studies as the excitation of the triple-quantum coherence is not uniform. In this regard, MQMAS is most useful for samples with small quadrupolar coupling constants. In the specific case of 17O, DAS would give spectra with excellent resolution in comparison to MQMAS. The different advantages of DAS and MQMAS make them useful complementary techniques in many cases. Two additional methods are also presented for extracting the chemical shift anisotropy (CSA) directly for quadrupolar nuclei using the multiple-quantum scheme.

    View details for Web of Science ID A1997WY62900001

    View details for PubMedID 9178419

  • Na-ion transport in borate and germanate glasses and liquids: A Na-23 and B-11 NMR spin-lattice-relaxation study PHYSICAL REVIEW B Sen, S., Stebbins, J. F. 1997; 55 (6): 3512-3519
  • Dynamics of Na in sodium aluminosilicate glasses and liquids PHYSICS AND CHEMISTRY OF MINERALS George, A. M., Stebbins, J. F. 1996; 23 (8): 526-534
  • Magnesium site exchange in forsterite: A direct measurement by high-temperature Mg-25 NMR spectroscopy AMERICAN MINERALOGIST Stebbins, J. F. 1996; 81 (11-12): 1315-1320
  • Silicon site distributions in an alkali silicate glass derived by two-dimensional Si-29 nuclear magnetic resonance JOURNAL OF NON-CRYSTALLINE SOLIDS Zhang, P., Dunlap, C., Florian, P., Grandinetti, P. J., Farnan, I., Stebbins, J. F. 1996; 204 (3): 294-300
  • Temperature effects on structure and dynamics in borate and borosilicate liquids: High-resolution and high-temperature NMR results JOURNAL OF THE AMERICAN CERAMIC SOCIETY Stebbins, J. F., Ellsworth, S. E. 1996; 79 (9): 2247-2256
  • Triple-quantum two-dimensional Al-27 magic-angle spinning nuclear magnetic resonance spectroscopic study of aluminosilicate and aluminate crystals and glasses JOURNAL OF THE AMERICAN CHEMICAL SOCIETY BALTISBERGER, J. H., Xu, Z., Stebbins, J. F., Wang, S. H., Pines, A. 1996; 118 (30): 7209-7214
  • Cation distribution in mixed alkali disilicate glasses JOURNAL OF THE AMERICAN CHEMICAL SOCIETY Florian, P., Vermillion, K. E., Grandinetti, P. J., Farnan, I., Stebbins, J. F. 1996; 118 (14): 3493-3497
  • Ionic conduction and mixed cation effect in silicate glasses and liquids: Na-23 and Li-7 NMR spin-lattice relaxation and a multiple-barrier model of percolation JOURNAL OF NON-CRYSTALLINE SOLIDS Sen, S., George, A. M., Stebbins, J. F. 1996; 197 (1): 53-64
  • CATION DYNAMICS AND DIFFUSION IN LITHIUM ORTHOSILICATE - 2-DIMENSIONAL LI-6 NMR SCIENCE Xu, Z., Stebbins, J. F. 1995; 270 (5240): 1332-1334
  • LI-6 NUCLEAR-MAGNETIC-RESONANCE CHEMICAL-SHIFTS, COORDINATION-NUMBER AND RELAXATION IN CRYSTALLINE AND GLASSY SILICATES SOLID STATE NUCLEAR MAGNETIC RESONANCE Xu, Z., Stebbins, J. F. 1995; 5 (1): 103-112

    Abstract

    Unlike 7Li magic-angle spinning nuclear magnetic resonance (MAS NMR) spectra, 6Li MAS NMR spectra of silicates are dominated by chemical shift effects, often have a very high resolution and hence can provide significant structural information. In this study we demonstrate a good correlation between 6Li isotropic chemical shifts and oxygen coordination number, and use this result to describe the range of coordination environments for Li in silicate glasses. We also show that the second-order quadrupolar shift for 7Li can often be derived from 7Li and 6Li MAS spectra acquired at a single magnetic field. For a series of natural lepidolite samples with significant but varying contents of Mn and Fe, spin-lattice relaxation data show a power-law behavior and a three-dimensional distribution of paramagnetic centers, but homonuclear dipolar couplings can be important. The 6Li spectrum for lithium orthosilicate (which has three-, four-, five- and six-coordinated Li) is consistent with that predicted by the X-ray structure.

    View details for Web of Science ID A1995TA30400010

    View details for PubMedID 8748648

  • HIGH-TEMPERATURE NA-23 MAS NMR DATA FOR ALBITE - COMPARISON TO CHEMICAL-SHIFT MODELS AMERICAN MINERALOGIST George, A. M., Stebbins, J. F. 1995; 80 (9-10): 878-884
  • SOLID-STATE O-17 MAGIC-ANGLE AND DYNAMIC-ANGLE SPINNING NMR-STUDY OF THE SIO2 POLYMORPH COESITE JOURNAL OF PHYSICAL CHEMISTRY Grandinetti, P. J., BALTISBERGER, J. H., Farnan, I., Stebbins, J. F., Werner, U., Pines, A. 1995; 99 (32): 12341-12348
  • SILICATE SPECIES EXCHANGE, VISCOSITY, AND CRYSTALLIZATION IN A LOW-SILICA MELT - IN-SITU HIGH-TEMPERATURE MAS NMR-SPECTROSCOPY AMERICAN MINERALOGIST Stebbins, J. F., Sen, S., Farnan, I. 1995; 80 (7-8): 861-864
  • STRUCTURAL ROLE OF ND3+ AND AL3+ CATIONS IN SIO2 GLASS - A SI-29 MAS-NMR SPIN-LATTICE RELAXATION, AL-27 NMR AND EPR STUDY JOURNAL OF NON-CRYSTALLINE SOLIDS Sen, S., Stebbins, J. F. 1995; 188 (1-2): 54-62
  • CATION-EXCHANGE RATES AND MOBILITY IN ALUMINUM-DOPED LITHIUM ORTHOSILICATE - HIGH-RESOLUTION LI-6 NMR RESULTS SOLID STATE IONICS Stebbins, J. F., Xu, Z., Vollath, D. 1995; 78 (1-2): L1-L8
  • MOBILITY AND RELAXATION DETERMINATIONS OF LITHIUM IN LITHIUM ALUMINATE CERAMICS USING SOLID-STATE NMR-SPECTROSCOPY CHEMISTRY OF MATERIALS Stewart, F. F., Stebbins, J. F., Peterson, E. S., Farnan, I., Dunham, S. O., Adams, E., Jennings, P. W. 1995; 7 (2): 363-367
  • OXYGEN DISPLACEMENT THROUGH THE FERROELECTRIC PHASE-TRANSITION OF BARIUM-TITANATE - HIGH-TEMPERATURE O-17 NMR JOURNAL OF THE AMERICAN CERAMIC SOCIETY Spearing, D. R., Stebbins, J. F. 1994; 77 (12): 3263-3266
  • DEOXYGENATION ANNEALING OF BI2SR2CACU2O8+DELTA SINGLE-CRYSTALS OBSERVED IN-SITU BY O-17 NMR PHYSICA C-SUPERCONDUCTIVITY AND ITS APPLICATIONS Farnan, I., Lombardo, L. W., Stebbins, J. F., Kapitulnik, A. 1994; 232 (1-2): 27-36
  • A NEW DEVICE FOR EXPANSIVITY MEASUREMENTS OF LIQUIDS AT HIGH-TEMPERATURE AND PRESSURE AND EXPANSIVITY DATA FOR LIQUID-TIN TO 1450-DEGREES-C REVIEW OF SCIENTIFIC INSTRUMENTS FISKE, P. S., Stebbins, J. F. 1994; 65 (10): 3258-3262
  • DIFFUSION AND THE DYNAMICS OF DISPLACIVE PHASE-TRANSITIONS IN CRYOLITE (NA3ALF6) AND CHIOLITE (NA5AL3F14) - MULTINUCLEAR NMR-STUDIES PHYSICS AND CHEMISTRY OF MINERALS Spearing, D. R., Stebbins, J. F., Farnan, I. 1994; 21 (6): 373-386
  • THE STRUCTURAL OF MG IN SILICATE LIQUIDS - A HIGH-TEMPERATURE MG-25, NA-23, AND SI-29 NMR-STUDY AMERICAN MINERALOGIST FISKE, P. S., Stebbins, J. F. 1994; 79 (9-10): 848-861
  • COORDINATION ENVIRONMENTS OF B-IMPURITIES IN CALCITE AND ARAGONITE POLYMORPHS - A B-11 MAS NMR-STUDY AMERICAN MINERALOGIST Sen, S., Stebbins, J. F., Hemming, N. G., GHOSH, B. 1994; 79 (9-10): 819-825
  • THE NATURE OF THE GLASS-TRANSITION IN A SILICA-RICH OXIDE MELT SCIENCE Farnan, I., Stebbins, J. F. 1994; 265 (5176): 1206-1209

    Abstract

    The atomic-scale dynamics of the glass-to-liquid transition are, in general, poorly understood in inorganic materials. Here, two-dimensional magic angle spinning nuclear magnetic resonance spectra collected just above the glass transition of K(2)Si(4)O(9) at temperatures as high as 583 degrees C are presented. Rates of exchange for silicon among silicate species, which involves Si-O bond breaking, have been measured and are shown to be closely related in time scale to those defined by viscosity. Thus, even at viscosities as high as 10(10) pascal seconds, local bond breaking (in contrast to the cooperative motion of large clusters) is of major importance in the control of macroscopic flow and diffusion.

    View details for Web of Science ID A1994PD42200028

    View details for PubMedID 17787585

  • PHASE-SEPARATION, CLUSTERING, AND FRACTAL CHARACTERISTICS IN GLASS - A MAGIC-ANGLE-SPINNING NMR SPIN-LATTICE RELAXATION STUDY PHYSICAL REVIEW B Sen, S., Stebbins, J. F. 1994; 50 (2): 822-830
  • BONDING AND DYNAMICAL PHENOMENA IN MGO - A HIGH-TEMPERATURE O-17 AND MG-25 NMR-STUDY PHYSICS AND CHEMISTRY OF MINERALS FISKE, P. S., Stebbins, J. F., Farnan, I. 1994; 20 (8): 587-593
  • CORRELATIONS BETWEEN O-17 NMR PARAMETERS AND LOCAL-STRUCTURE AROUND OXYGEN IN HIGH-PRESSURE SILICATES - IMPLICATIONS FOR THE STRUCTURE OF SILICATE MELTS AT HIGH-PRESSURE AMERICAN MINERALOGIST Xue, X. Y., Stebbins, J. F., Kanzaki, M. 1994; 79 (1-2): 31-42
  • NA-23 NMR CHEMICAL-SHIFTS AND LOCAL NA COORDINATION ENVIRONMENTS IN SILICATE CRYSTALS, MELTS AND GLASSES PHYSICS AND CHEMISTRY OF MINERALS Xue, X. Y., Stebbins, J. F. 1993; 20 (5): 297-307
  • GEL SYNTHESIS OF AN ALBITE (NAALSI3O8) GLASS - AN NMR ANALYSIS GEOCHIMICA ET COSMOCHIMICA ACTA SCHMELZ, C. E., Stebbins, J. F. 1993; 57 (16): 3949-3960
  • ACCEPTANCE OF THE MINERALOGICAL-SOCIETY-OF-AMERICA AWARD FOR 1992 AMERICAN MINERALOGIST Stebbins, J. F. 1993; 78 (7-8): 856-857
  • COMPOSITIONAL AND TEMPERATURE EFFECTS ON 5-COORDINATED SILICON IN AMBIENT-PRESSURE SILICATE-GLASSES JOURNAL OF NON-CRYSTALLINE SOLIDS Stebbins, J. F., McMillan, P. 1993; 160 (1-2): 116-125
  • TETRAHEDRAL DISORDER IN FIBROLITIC SILLIMANITE - COMPARISON OF SI-29 NMR AND NEUTRON-DIFFRACTION DATA AMERICAN MINERALOGIST Stebbins, J. F., Burnham, C. W., Bish, D. L. 1993; 78 (3-4): 461-464
  • KINETICS AND MECHANISM OF LIGAND-EXCHANGE OF AU(III), ZN(II), AND CD(II) CHLORIDES IN AQUEOUS-SOLUTION - AN NMR-STUDY FROM 28-98-DEGREES-C GEOCHIMICA ET COSMOCHIMICA ACTA SHARPS, J. A., Brown, G. E., Stebbins, J. F. 1993; 57 (4): 721-731
  • A SI-29 MAS NMR-STUDY OF SUB-TG AMORPHIZATION OF STISHOVITE AT AMBIENT PRESSURE PHYSICS AND CHEMISTRY OF MINERALS Xue, X. Y., Stebbins, J. F., Kanzaki, M. 1993; 19 (7): 480-485
  • DYNAMICS OF THE ALPHA-BETA PHASE-TRANSITIONS IN QUARTZ AND CRISTOBALITE AS OBSERVED BY INSITU HIGH-TEMPERATURE SI-29 NMR AND O-17 NMR PHYSICS AND CHEMISTRY OF MINERALS Spearing, D. R., Farnan, I., Stebbins, J. F. 1992; 19 (5): 307-321
  • SOLIDS AND LIQUIDS IN THE NAF-ALF3-AL2O3 SYSTEM - A HIGH-TEMPERATURE NMR-STUDY JOURNAL OF THE AMERICAN CERAMIC SOCIETY Stebbins, J. F., Farnan, I., DANDO, N., Tzeng, S. Y. 1992; 75 (11): 3001-3006
  • QUANTIFICATION OF THE DISORDER IN NETWORK-MODIFIED SILICATE-GLASSES NATURE Farnan, I., Grandinetti, P. J., BALTISBERGER, J. H., Stebbins, J. F., Werner, U., Eastman, M. A., Pines, A. 1992; 358 (6381): 31-35

    Abstract

    Local order in silicate glasses has been observed by many experimental techniques to be similar to that in crystalline materials. Details of the intermediate-range order are more elusive, but essential for understanding the lack of long-range symmetry in glasses and the effect of composition on glass structure. Two-dimensional 17O dynamic-angle-spinning nuclear magnetic resonance experiments reveal intermediate-range order in the distribution of inter-tetrahedral (Si-O-Si) bond angles and a high degree of order in the disposition of oxygen atoms around the network-modifying cations.

    View details for Web of Science ID A1992JB34100043

    View details for PubMedID 1614527

  • NUCLEAR-MAGNETIC-RESONANCE SPECTROSCOPY OF GEOLOGICAL-MATERIALS MRS BULLETIN Stebbins, J. F. 1992; 17 (5): 45-52
  • EFFECTS OF HIGH-TEMPERATURE ON SILICATE LIQUID STRUCTURE - A MULTINUCLEAR NMR-STUDY SCIENCE Stebbins, J. F., Farnan, I. 1992; 255 (5044): 586-589

    Abstract

    The structure of a silicate liquid changes with temperature, and this substantially affects its thermodynamic and transport properties. Models used by geochemists, geophysicists, and glass scientists need to include such effects. In situ, high-temperature nuclear magnetic resonance (NMR) spectroscopy on (23)Na, (27)A1, and (29)Si was used to help determine the time-averaged structure of a series of alkali aluminosilicate liquids at temperatures to 1320 degrees C. Isotropic chemical shifts for (29)Si increase (to higher frequencies) with increasing temperature, probably in response to intermediate-range structural changes such as the expansion of bonds between nonbridging oxygens and alkali cations. In contrast, isotropic chemical shifts for (27)Al decrease with increasing temperature, indicating that more significant short-range structural changes take place for aluminum, such as an increase in mean coordination number. The spectrum of a sodium aluminosilicate glass clearly indicates that at least a few percent of six-coordinated aluminum was present in the liquid at high temperature.

    View details for Web of Science ID A1992HB53100039

    View details for PubMedID 17792382

  • X-RAY-POWDER DIFFRACTION AND NA-23, AL-27, AND SI-29 MAS-NMR INVESTIGATION OF NEPHELINE-KALSILITE CRYSTALLINE SOLUTIONS AMERICAN MINERALOGIST Hovis, G. L., Spearing, D. R., Stebbins, J. F., Roux, J., Clare, A. 1992; 77 (1-2): 19-29
  • NUCLEAR-MAGNETIC-RESONANCE AT HIGH-TEMPERATURE CHEMICAL REVIEWS Stebbins, J. F. 1991; 91 (7): 1353-1373
  • NMR EVIDENCE FOR 5-COORDINATED SILICON IN A SILICATE GLASS AT ATMOSPHERIC-PRESSURE NATURE Stebbins, J. F. 1991; 351 (6328): 638-639
  • CHARACTERIZATION OF QUENCHED HIGH-PRESSURE PHASES IN CASIO3 SYSTEM BY XRD AND SI-29 NMR GEOPHYSICAL RESEARCH LETTERS Kanzaki, M., Stebbins, J. F., Xue, X. Y. 1991; 18 (3): 463-466
  • LOCAL-STRUCTURE AND CHEMICAL-SHIFTS FOR 6-COORDINATED SILICON IN HIGH-PRESSURE MANTLE PHASES SCIENCE Stebbins, J. F., Kanzaki, M. 1991; 251 (4991): 294-298

    Abstract

    Most of the earth's mantle is made up of high-pressure silicate minerals that contain octahedrally coordinated silicon (Si(VI)), but many thermodynamically important details of cation site ordering remain unknown. Silicon-29 nuclear magnetic resonance (NMR) spectroscopy is potentially very useful for determining short-range structure. A systematic study of silicon-29 chemical shifts for Si(VI) has revealed empirical correlations between shift and structure that are useful in understanding several new calcium silicates. The observed ordering state of a number of high-pressure magnesium silicates is consistent with the results of previous x-ray diffraction studies.

    View details for Web of Science ID A1991ET67800027

    View details for PubMedID 17733286

  • HIGH-RESOLUTION O-17 NMR OF SOLID SILICATES JOURNAL OF THE AMERICAN CHEMICAL SOCIETY Mueller, K. T., Wu, Y., Chmelka, B. F., Stebbins, J., Pines, A. 1991; 113 (1): 32-38
  • PRESSURE-INDUCED SILICON COORDINATION AND TETRAHEDRAL STRUCTURAL-CHANGES IN ALKALI OXIDE-SILICA MELTS UP TO 12 GPA - NMR, RAMAN, AND INFRARED-SPECTROSCOPY AMERICAN MINERALOGIST Xue, X. Y., Stebbins, J. F., Kanzaki, M., McMillan, P. F., Poe, B. 1991; 76 (1-2): 8-26
  • OBSERVATION OF SLOW ATOMIC MOTIONS CLOSE TO THE GLASS-TRANSITION USING 2-D SI-29 NMR JOURNAL OF NON-CRYSTALLINE SOLIDS Farnan, I., Stebbins, J. F. 1990; 124 (2-3): 207-215
  • HIGH-TEMPERATURE SI-29 NMR INVESTIGATION OF SOLID AND MOLTEN SILICATES JOURNAL OF THE AMERICAN CHEMICAL SOCIETY Farnan, I., Stebbins, J. F. 1990; 112 (1): 32-39
  • ALUMINUM IN RUTILE (TIO2) - CHARACTERIZATION BY SINGLE-CRYSTAL AND MAGIC-ANGLE-SPINNING NUCLEAR MAGNETIC-RESONANCE JOURNAL OF THE AMERICAN CERAMIC SOCIETY Stebbins, J. F., Farnan, I., KLABUNDE, U. 1989; 72 (11): 2198-2200
  • SILICON COORDINATION AND SPECIATION CHANGES IN A SILICATE LIQUID AT HIGH-PRESSURES SCIENCE Xue, X. Y., Stebbins, J. F., Kanzaki, M., Tronnes, R. G. 1989; 245 (4921): 962-964

    Abstract

    Coordination and local geometry around Si cations in silicate liquids are of primary importance in controlling the chemical and physical properties of magmas. Pressure-induced changes from fourfold to sixfold coordination of Si in silicate glass samples quenched from liquids has been detected with (29)Si magic-angle spinning nuclear magnetic resonance spectrometry. Samples of Na(2)Si(2)O(5) glass quenched from 8 gigapascals and 1500 degrees C contained about 1.5 percent octahedral Si, which was demonstrably part of a homogeneous, amorphous phase. The dominant tetrahedral Si speciation in these glasses became disproportionated to a more random distribution of bridging and nonbridging oxygens with increasing pressure.

    View details for Web of Science ID A1989AM93300023

    View details for PubMedID 17780537

  • NUCLEAR MAGNETIC-RESONANCE SPECTROSCOPY IN THE EARTH SCIENCES - STRUCTURE AND DYNAMICS SCIENCE Stebbins, J. F., Farnan, I. 1989; 245 (4915): 257-263

    Abstract

    Detailed knowledge of the structure and dynamics of the materials that make up the earth is necessary for fundamental understanding of most geological processes. Nuclear magnetic resonance spectroscopy is beginning to play an important role in investigations of inorganic solid materials, as well as of liquids and organic compounds; it has already contributed substantially to our knowledge of minerals and rocks, compositionally simplified analogs of magmas, and the surfaces of silicate crystals. The technique is particularly useful for determining local structure and ordering state in crystals, glasses, and liquids, and is sensitive to atomic motion at the time scales of diffusion and viscosity in silicates. New techniques offer promise for increased resolution for quadrupolar nuclei and for extension of experiments to high temperature and pressure.

    View details for Web of Science ID A1989AF96200020

    View details for PubMedID 17834676

  • LACK OF LOCAL STRUCTURAL ORIENTATION IN OXIDE GLASSES QUENCHED DURING FLOW - NMR RESULTS JOURNAL OF NON-CRYSTALLINE SOLIDS Stebbins, J. F., Spearing, D. R., Farnan, I. 1989; 110 (1): 1-12
  • O-17 NMR IN SOLIDS BY DYNAMIC-ANGLE SPINNING AND DOUBLE ROTATION NATURE Chmelka, B. F., Mueller, K. T., Pines, A., Stebbins, J., Wu, Y., Zwanziger, J. W. 1989; 339 (6219): 42-43
  • MAGIC ANGLE SPINNING NMR OBSERVATION OF SODIUM SITE EXCHANGE IN NEPHELINE AT 500-DEGREES-C PHYSICS AND CHEMISTRY OF MINERALS Stebbins, J. F., Farnan, I., Williams, E. H., Roux, J. 1989; 16 (8): 763-766
  • EFFECTS OF TEMPERATURE ON THE STRUCTURES OF SILICATE LIQUIDS - SI-29 NMR RESULTS GEOCHIMICA ET COSMOCHIMICA ACTA Brandriss, M. E., Stebbins, J. F. 1988; 52 (11): 2659-2669
  • DIFFUSIVE MOTION IN ALKALI SILICATE MELTS - AN NMR-STUDY AT HIGH-TEMPERATURE GEOCHIMICA ET COSMOCHIMICA ACTA Liu, S. B., Stebbins, J. F., Schneider, E., Pines, A. 1988; 52 (2): 527-538
  • A SI-29 NUCLEAR MAGNETIC-RESONANCE STUDY OF SILICON-ALUMINUM ORDERING IN LEUCITE AND ANALCITE PHYSICS AND CHEMISTRY OF MINERALS Murdoch, J. B., Stebbins, J. F., Carmichael, I. S., Pines, A. 1988; 15 (4): 370-382
  • IDENTIFICATION OF MULTIPLE STRUCTURAL SPECIES IN SILICATE-GLASSES BY SI-29 NMR NATURE Stebbins, J. F. 1987; 330 (6147): 465-467

    Abstract

    Knowledge of the structure of silicate glasses is one key to understanding their chemical and physical properties, as well as those of the high-temperature liquids from which they form. Because first-neighbour ordering into SiO4 tetrahedra is well known, much of the recent discussion about glass structure has concerned intermediate-range order. One of the most fundamental questions that can be posed is the distribution of silicate tetrahedra with n bridging oxygens (shared between two tetrahedra), labelled as 'Qn' (0 less than or equal to n less than or equal to 4). This distribution is probably important in determining the properties of melts and glasses, but considerable controversy exists concerning the identification and quantification of such species. Here I present new evidence from 29Si NMR (nuclear magnetic resonance) spectroscopy that clearly resolves one significant part of this dispute: at least in sodium silicate glasses, a variety of species is present that is greater than that required by composition alone.

    View details for Web of Science ID A1987L083900057

    View details for PubMedID 2825026

  • SPECIATION AND LOCAL-STRUCTURE IN ALKALI AND ALKALINE-EARTH SILICATE-GLASSES - CONSTRAINTS FROM SI-29 NMR-SPECTROSCOPY JOURNAL OF NON-CRYSTALLINE SOLIDS Schneider, E., Stebbins, J. F., Pines, A. 1987; 89 (3): 371-383
  • RELAXATION MECHANISMS AND EFFECTS OF MOTION IN ALBITE (NAALSI3O8) LIQUID AND GLASS - A HIGH-TEMPERATURE NMR-STUDY PHYSICS AND CHEMISTRY OF MINERALS Liu, S. B., Pines, A., BRANDRISS, M., Stebbins, J. F. 1987; 15 (2): 155-162
  • NEW PROBE FOR HIGH-TEMPERATURE NMR-SPECTROSCOPY WITH PPM RESOLUTION REVIEW OF SCIENTIFIC INSTRUMENTS Stebbins, J. F., Schneider, E., Murdoch, J. B., Pines, A., Carmichael, I. S. 1986; 57 (1): 39-42
  • DEFECTS AND SHORT-RANGE ORDER IN NEPHELINE GROUP MINERALS - A SI-29 NUCLEAR-MAGNETIC-RESONANCE STUDY PHYSICS AND CHEMISTRY OF MINERALS Stebbins, J. F., Murdoch, J. B., Carmichael, I. S., Pines, A. 1986; 13 (6): 371-381
  • A HIGH-TEMPERATURE HIGH-RESOLUTION NMR-STUDY OF NA-23, AL-27 AND SI-29 IN MOLTEN SILICATES NATURE Stebbins, J. F., Murdoch, J. B., Schneider, E., Carmichael, I. S., Pines, A. 1985; 314 (6008): 250-252
  • SOME THERMODYNAMIC AND EXPERIMENTAL CONSTRAINTS ON THE MELTING OF ALBITE AT ATMOSPHERIC AND HIGH-PRESSURE JOURNAL OF GEOLOGY NAVROTSKY, A., Capobianco, C., Stebbins, J. 1982; 90 (6): 679-698

Books and Book Chapters


  • NMR spectroscopy in inorganic Earth materials Spectroscopic Methods in Mineralogy and Materials Sciences Stebbins, J. F., Xue, X. edited by Henderson, G. S., Neuville, D., Downs, R. T. Mineralogical Society of America. 2014: 605-653
  • Quadrupolar NMR in the Earth Sciences NMR of Quadrupolar Nuclei in Solid Materials, and Encyclopedia of Magnetic Resonance (online publication) Stebbins, J. F. edited by Wasylishen, R. E., Ashbrook, S. E., Wimperis, S. John Wiley & Sons, Ltd.. 2012: 387-400
  • The effect of composition, compression, and decompression on the structure of high pressure aluminosilicate glasses: an investigation utilizing 17O and 27Al NMR Frontiers of High Pressure Research Allwardt, J. R., Stebbins, J. F., Schmidt, B. C., Frost, D. J. edited by Chen, J., Wang, Y., Duffy, T. S., Shen, G., Dobrzhinetskaya, L. F. Elsevier, Amsterdam. 2005: 211-240
  • NMR studies of oxide glass structure Solid State NMR: Theory and Applications Stebbins, J. F. edited by Duer, M. Blackwell Scientific, Oxford. 2001: 391-436

Conference Proceedings


  • Silicate melts at high temperature and pressure: Structure and properties Stebbins, J. F. PERGAMON-ELSEVIER SCIENCE LTD. 2010: A989-A989
  • Molecular- and nm-scale investigation of the structure and composition of naturally occurring ferrihydrite Cismasu, C., Michel, F. M., Stebbins, J. F., Tcaciuc, A. P., Brown, G. E. AMER CHEMICAL SOC. 2009
  • Structure, local environment, and ionic conduction in scandia stabilized zirconia Huang, H., Hsieh, C., Kim, N., Stebbins, J., Pninz, F. ELSEVIER SCIENCE BV. 2008: 1442-1445
  • Aluminium coordination in natural silica glasses from the Libyan Desert (Egypt): high field NMR results Stebbins, J. F., Du, L. S., Pratesi, G. SOC GLASS TECHNOLOGY. 2005: 340-344
  • Measuring correlated structural distribution in non-crystalline solids. Grandinetti, P., Clark, T., Stebbins, J. F. AMER CHEMICAL SOC. 2005: U736-U736
  • Silicate liquids: Defining and quantifying structural disorder Stebbins, J. F. PERGAMON-ELSEVIER SCIENCE LTD. 2003: A444-A444
  • Structural environments for chloride and fluoride ions in aluminosilicate glasses: NMR results Stebbins, J. F., Sandland, T. O., Du, L. S., Kiczenski, T. J. PERGAMON-ELSEVIER SCIENCE LTD. 2002: A736-A736
  • Enhanced resolution and quantitation from 'ultrahigh' field NMR spectroscopy of glasses Kroeker, S., Neuhoff, P. S., Stebbins, J. F. ELSEVIER SCIENCE BV. 2001: 440-445
  • Direct observation of multiple oxygen sites in oxide glasses: recent advances from triple-quantum magic-angle spinning nuclear magnetic resonance Stebbins, J. F., Zhao, P. D., Lee, S. K., Oglesby, J. V. ELSEVIER SCIENCE BV. 2001: 67-73
  • Oxygen sites in silicate glasses: a new view from oxygen-17 NMR Stebbins, J. F., Oglesby, J. V., Lee, S. K. ELSEVIER SCIENCE BV. 2001: 63-75
  • Non-bridging oxygens in borate glasses: characterization by B-11 and O-17 MAS and 3QMAS NMR Stebbins, J. F., Zhao, P. D., Kroeker, S. ACADEMIC PRESS INC ELSEVIER SCIENCE. 2000: 9-19

    Abstract

    The concentrations of non-bridging oxygens (NBO) in oxide glasses has major effects on their properties and on those of their precursor glass melts. In borate and borosilicate glasses, the presence of NBO bonded to boron has generally been inferred from 11B NMR spectra and mass balance considerations. Here we report the direct observation of such NBO using 17O MAS and 3QMAS techniques, and compare estimates of their populations with those derived from high-resolution 11B MAS spectra. For the latter, two independent methods are used, based on the ratios of trigonal to tetrahedral boron and on the concentrations of trigonal boron sites with large quadrupolar asymmetry parameters. We include data on crystalline sodium pyroborate (Na4B2O5) and sodium metaborate (NaBO2), and several sodium and barium borate glasses. 17O chemical shifts and quadrupolar coupling constants for NBO bonded to boron vary considerably depending on their coordination environment. In borosilicates, peaks for this species may be hidden by overlap with B-O-Si or Si-O-Si resonances.

    View details for Web of Science ID 000086895000003

    View details for PubMedID 10811425

  • Evidence of cation ordering around bridging and nonbridging oxygen in K(2)O2SiO(2). Grandinetti, P., Florian, P., Vermillion, K., Stebbins, J. AMER CHEMICAL SOC. 1999: U660-U660
  • O-17 3QMAS HMR study on borosilicate glasses. Zhao, P. D., Stebbins, J. AMER CHEMICAL SOC. 1999: U658-U658
  • Phase relations in Na2O-SiO2 and K2Si4O9 systems up to 14 GPa and Si-29 NMR study of the new high-pressure phases: implications to the structure of high-pressure silicate glasses Kanzaki, M., Xue, X. Y., Stebbins, J. F. ELSEVIER SCIENCE BV. 1998: 9-21
  • Cation site exchange and diffusion in crystalline oxides: A high resolution Li-6 and Mg-25 NMR study. Stebbins, J. F., Xu, Z. AMER CHEMICAL SOC. 1996: 47-IEC
  • Dynamics in supercooled oxide liquids: High-resolution NMR, site exchange, and viscous transport Stebbins, J. F., Sen, S. AMER CHEMICAL SOC. 1996: 135-PHYS
  • HIGH-TEMPERATURE NUCLEAR-MAGNETIC-RESONANCE STUDIES OF OXIDE MELTS Stebbins, J. F., Sen, S., George, A. M. ELSEVIER SCIENCE BV. 1995: 298-305
  • A STUDY OF LITHIUM ALUMINATE BY SOLID-STATE MULTINUCLEAR NMR-SPECTROSCOPY Stewart, F. F., Peterson, E. S., Stebbins, J. F., Farnan, I. AMER CHEMICAL SOC. 1994: 520-INOR
  • NUCLEATION AND MEDIUM-RANGE ORDER IN SILICATE LIQUIDS - INFERENCES FROM NMR-SPECTROSCOPY Stebbins, J. F., Sen, S. MATERIALS RESEARCH SOC. 1994: 143-154
  • UNUSUAL COORDINATION NUMBERS IN SILICATE AND ALUMINATE GLASSES McMillan, P. F., Stebbins, J. F. AMER CHEMICAL SOC. 1993: 41-PHYS
  • THE STRUCTURE AND DYNAMICS OF ALKALI SILICATE LIQUIDS - A VIEW FROM NMR-SPECTROSCOPY Stebbins, J. F., Farnan, I., Xue, X. Y. ELSEVIER SCIENCE BV. 1992: 371-385