Structure of TeO2 glass: Results from 2D 125Te NMR spectroscopy

Marple, Maxwell A. T.; Jesuit, Martha; Hung, Ivan; Gan, Zhehong; Feller, Steve; Sen, Sabyasachi

doi:10.1016/j.jnoncrysol.2019.03.019

Title: Structure of TeO₂ glass: Results from 2D ¹²⁵Te NMR spectroscopy

Abstract

Despite its chemical simplicity, a definitive description of the structure of TeO₂ glass has remained elusive due to the complexity of the Te-O coordination environment. Here, in this work we probe the Te-O coordination environment in glassy TeO₂ using 2D ¹²⁵Te isotropic-anisotropic chemical shift correlation nuclear magnetic resonance (NMR) spectroscopy. The NMR results are consistent with the presence of two Te-O environments in this glass, characterized by their distinct set of ¹²⁵Te chemical shift parameters. The dominant environment (~89%) is a distorted trigonal bipyramidal TeO₄ unit, reminiscent of that observed in crystalline γ-TeO₂. A second, minor (~11%) component can be assigned, on the basis of its chemical shift parameters, to a TeO₃ unit. Lastly, the resulting average coordination number, nTeO, measured by ¹²⁵Te NMR (nTeO ≈ 3.9) is higher than its previously reported value obtained using neutron diffraction (nTeO ≈ 3.7).

Authors:

Marple, Maxwell A. T. ^[1]; Jesuit, Martha ^[2]; Hung, Ivan ^[3]; Gan, Zhehong ^[3]; Feller, Steve ^[2]; Sen, Sabyasachi ^[1]

Univ. of California, Davis, CA (United States)
Coe College, Cedar Rapids, IA (United States)
National High Magnetic Field Laboratory, Tallahassee, FL (United States)

Publication Date:: Thu Mar 28 00:00:00 EDT 2019

Research Org.:: Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

Sponsoring Org.:: USDOE National Nuclear Security Administration (NNSA)

OSTI Identifier:: 1543083

Alternate Identifier(s):: OSTI ID: 1636015

Report Number(s):: LLNL-JRNL-764461
Journal ID: ISSN 0022-3093; 954482

Grant/Contract Number:: AC52-07NA27344

Resource Type:: Accepted Manuscript

Journal Name:: Journal of Non-Crystalline Solids

Additional Journal Information:: Journal Volume: 513; Journal Issue: C; Journal ID: ISSN 0022-3093

Publisher:: Elsevier

Country of Publication:: United States

Language:: English

Subject:: 36 MATERIALS SCIENCE; 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; TeO2 glass structure; Two-dimensional 125Te NMR; Isootropicanisotropic chemical shift correlation; Te-O coordination; Raman spectroscopy

Citation Formats


                    Marple, Maxwell A. T., Jesuit, Martha, Hung, Ivan, Gan, Zhehong, Feller, Steve, and Sen, Sabyasachi. Structure of TeO2 glass: Results from 2D 125Te NMR spectroscopy.  United States: N. p., 2019. 
Web.  doi:10.1016/j.jnoncrysol.2019.03.019.

Copy to clipboard


                    Marple, Maxwell A. T., Jesuit, Martha, Hung, Ivan, Gan, Zhehong, Feller, Steve, & Sen, Sabyasachi. Structure of TeO2 glass: Results from 2D 125Te NMR spectroscopy.  United States.  https://doi.org/10.1016/j.jnoncrysol.2019.03.019

Copy to clipboard


                    Marple, Maxwell A. T., Jesuit, Martha, Hung, Ivan, Gan, Zhehong, Feller, Steve, and Sen, Sabyasachi. Thu .  
"Structure of TeO2 glass: Results from 2D 125Te NMR spectroscopy".  United States.  https://doi.org/10.1016/j.jnoncrysol.2019.03.019.  https://www.osti.gov/servlets/purl/1543083.

Copy to clipboard


                    
@article{osti_1543083,

  title        = {Structure of TeO2 glass: Results from 2D 125Te NMR spectroscopy},

  author       = {Marple, Maxwell A. T. and Jesuit, Martha and Hung, Ivan and Gan, Zhehong and Feller, Steve and Sen, Sabyasachi},

  abstractNote = {Despite its chemical simplicity, a definitive description of the structure of TeO2 glass has remained elusive due to the complexity of the Te-O coordination environment. Here, in this work we probe the Te-O coordination environment in glassy TeO2 using 2D 125Te isotropic-anisotropic chemical shift correlation nuclear magnetic resonance (NMR) spectroscopy. The NMR results are consistent with the presence of two Te-O environments in this glass, characterized by their distinct set of 125Te chemical shift parameters. The dominant environment (~89%) is a distorted trigonal bipyramidal TeO4 unit, reminiscent of that observed in crystalline γ-TeO2. A second, minor (~11%) component can be assigned, on the basis of its chemical shift parameters, to a TeO3 unit. Lastly, the resulting average coordination number, nTeO, measured by 125Te NMR (nTeO ≈ 3.9) is higher than its previously reported value obtained using neutron diffraction (nTeO ≈ 3.7).},

  doi          = {10.1016/j.jnoncrysol.2019.03.019},

  journal      = {Journal of Non-Crystalline Solids},

  number       = C,

  volume       = 513,

  place        = {United States},

  year         = {Thu Mar 28 00:00:00 EDT 2019},

  month        = {Thu Mar 28 00:00:00 EDT 2019}

}

Copy to clipboard

Journal Article:

Free Publicly Available Full Text

Accepted Manuscript (Publisher)

Accepted Manuscript (DOE)

Publisher's Version of Record

https://doi.org/10.1016/j.jnoncrysol.2019.03.019

Other availability

Search WorldCat to find libraries that may hold this journal

Citation Metrics:

Cited by: 23 works

Citation information provided by
Web of Science

Save / Share:

Export Metadata

Save to My Library

Works referenced in this record:

Quantum Mechanical Study of Pre-Dissociation Enhancement of Linear and Nonlinear Polarizabilities of (TeO ₂ ) _n Oligomers as a Key to Understanding the Remarkable Dielectric Properties of TeO ₂ Glasses
journal, September 2012

Smirnov, Mikhail; Mirgorodsky, Andrei; Masson, Olivier
The Journal of Physical Chemistry A, Vol. 116, Issue 37
DOI: 10.1021/jp303014k

Ab initio study of the nonlinear optical susceptibility of $Te O_{2}$ -based glasses
journal, April 2006

Mirgorodsky, A. P.; Soulis, M.; Thomas, P.
Physical Review B, Vol. 73, Issue 13
DOI: 10.1103/PhysRevB.73.134206

Terminal Oxygens in Amorphous TeO ₂
journal, June 2013

Barney, Emma R.; Hannon, Alex C.; Holland, Diane
The Journal of Physical Chemistry Letters, Vol. 4, Issue 14
DOI: 10.1021/jz4010637

Synthesis, thermal and structural properties of pure TeO2 glass and zinc-tellurite glasses
journal, February 2017

Tagiara, N. S.; Palles, D.; Simandiras, E. D.
Journal of Non-Crystalline Solids, Vol. 457
DOI: 10.1016/j.jnoncrysol.2016.11.033

Short-Range Structure of TeO ₂ Glass
journal, December 2017

Garaga, Mounesha N.; Werner-Zwanziger, U.; Zwanziger, J. W.
The Journal of Physical Chemistry C, Vol. 121, Issue 50
DOI: 10.1021/acs.jpcc.7b08978

The crystal structure and absolute optical chirality of paratellurite, α-TeO ₂
journal, September 1988

Thomas, P. A.
Journal of Physics C: Solid State Physics, Vol. 21, Issue 25
DOI: 10.1088/0022-3719/21/25/009

Crystal structure, Raman spectrum and lattice dynamics of a new metastable form of tellurium dioxide: γ-TeO2
journal, September 2000

Champarnaud-Mesjard, J. C.; Blanchandin, S.; Thomas, P.
Journal of Physics and Chemistry of Solids, Vol. 61, Issue 9
DOI: 10.1016/S0022-3697(00)00012-3

Glass-forming ability of TeO ₂ and temperature induced changes on the structure of the glassy, supercooled, and molten states
journal, April 2015

Kalampounias, A. G.; Tsilomelekis, G.; Boghosian, S.
The Journal of Chemical Physics, Vol. 142, Issue 15
DOI: 10.1063/1.4917536

Vibrational and structural properties of glass and crystalline phases of TeO2
journal, November 2003

Noguera, O.; Merle-Méjean, T.; Mirgorodsky, A. P.
Journal of Non-Crystalline Solids, Vol. 330, Issue 1-3
DOI: 10.1016/j.jnoncrysol.2003.08.052

125Te NMR Study of MO-TeO2(M=Mg, Zn, Sr, Ba and Pb) Glasses.
journal, January 1999

Sakida, Shinichi; Hayakawa, Satoshi; Yoko, Toshinobu
Journal of the Ceramic Society of Japan, Vol. 107, Issue 1245
DOI: 10.2109/jcersj.107.395

The structure of tellurite glass: a combined NMR, neutron diffraction, and X-ray diffraction study
journal, September 2000

McLaughlin, J. C.; Tagg, S. L.; Zwanziger, J. W.
Journal of Non-Crystalline Solids, Vol. 274, Issue 1-3
DOI: 10.1016/S0022-3093(00)00199-X

Part 1. 125Te NMR study of tellurite crystals
journal, January 1999

Sakida, Shinichi; Hayakawa, Satoshi; Yoko, Toshinobu
Journal of Non-Crystalline Solids, Vol. 243, Issue 1
DOI: 10.1016/S0022-3093(98)00811-4

Part 2.125Te NMR study of M2O–TeO2 (M=Li, Na, K, Rb and Cs) glasses
journal, January 1999

Sakida, Shinichi; Hayakawa, Satoshi; Yoko, Toshinobu
Journal of Non-Crystalline Solids, Vol. 243, Issue 1
DOI: 10.1016/S0022-3093(98)00812-6

The Structure of Alkali Tellurite Glasses
journal, January 2001

McLaughlin, J. C.; Tagg, S. L.; Zwanziger, J. W.
The Journal of Physical Chemistry B, Vol. 105, Issue 1
DOI: 10.1021/jp0025779

Alkali environments in tellurite glasses
journal, April 2015

Barney, Emma R.; Hannon, Alex C.; Holland, Diane
Journal of Non-Crystalline Solids, Vol. 414
DOI: 10.1016/j.jnoncrysol.2015.01.023

Structure of tellurite glasses—effects of K ₂ O or P ₂ O ₅ additions studied by diffraction
journal, April 2005

Hoppe, U.; Gugov, I.; Bürger, H.
Journal of Physics: Condensed Matter, Vol. 17, Issue 15
DOI: 10.1088/0953-8984/17/15/009

Structure of BaO-TeO2 glasses: A two-dimensional 125Te NMR spectroscopic study
journal, February 2018

Whittles, Zachary; Marple, Maxwell; Hung, Ivan
Journal of Non-Crystalline Solids, Vol. 481
DOI: 10.1016/j.jnoncrysol.2017.10.055

¹²⁵ Te and ⁵¹ V static NMR study of V ₂ O ₅ -TeO ₂ glasses
journal, March 2000

Sakida, Shinichi; Hayakawa, Satoshi; Yoko, Toshinobu
Journal of Physics: Condensed Matter, Vol. 12, Issue 12
DOI: 10.1088/0953-8984/12/12/302

Atomistic simulations of TeO ₂ -based glasses: interatomic potentials and molecular dynamics
journal, January 2014

Gulenko, Anastasia; Masson, Olivier; Berghout, Abid
Phys. Chem. Chem. Phys., Vol. 16, Issue 27
DOI: 10.1039/C4CP01273A

${TeO}_{2}$ glass properties from first principles
journal, August 2008

Pietrucci, F.; Caravati, S.; Bernasconi, M.
Physical Review B, Vol. 78, Issue 6
DOI: 10.1103/PhysRevB.78.064203

Tellurium Speciation, Connectivity, and Chemical Order in As _x Te _{100– x} Glasses: Results from Two-Dimensional ¹²⁵ Te NMR Spectroscopy
journal, January 2015

Kaseman, Derrick C.; Hung, Ivan; Lee, Kathleen
The Journal of Physical Chemistry B, Vol. 119, Issue 5
DOI: 10.1021/jp5123618

NMR nomenclature. Nuclear spin properties and conventions for chemical shifts(IUPAC Recommendations 2001)
journal, January 2001

Harris, Robin K.; Becker, Edwin D.; Cabral de Menezes, Sonia M.
Pure and Applied Chemistry, Vol. 73, Issue 11
DOI: 10.1351/pac200173111795

Modelling one- and two-dimensional solid-state NMR spectra: Modelling 1D and 2D solid-state NMR spectra
journal, December 2001

Massiot, Dominique; Fayon, Franck; Capron, Mickael
Magnetic Resonance in Chemistry, Vol. 40, Issue 1
DOI: 10.1002/mrc.984

Distribution of tellurite polymorphs in the xM2O–(1−x)TeO2 (M=Li, Na, K, Cs, and Rb) binary glasses using Raman spectroscopy
journal, March 2012

Kalampounias, Angelos G.; Boghosian, Soghomon
Vibrational Spectroscopy, Vol. 59
DOI: 10.1016/j.vibspec.2011.12.013

Redetermination of MgTe ₂ O ₅
journal, October 2005

Weil, Matthias
Acta Crystallographica Section E Structure Reports Online, Vol. 61, Issue 11
DOI: 10.1107/S1600536805033751

¹²⁵ Te NMR Probes of Tellurium Oxide Crystals: Shielding-Structure Correlations
journal, October 2017

Garaga, Mounesha N.; Werner-Zwanziger, Ulrike; Zwanziger, Josef W.
Inorganic Chemistry, Vol. 57, Issue 2
DOI: 10.1021/acs.inorgchem.7b02913

Works referencing / citing this record:

Features of electronic polarizability and approach to unique properties in tellurite glasses
journal, November 2019

Komatsu, Takayuki; Dimitrov, Vesselin
International Journal of Applied Glass Science, Vol. 11, Issue 2
DOI: 10.1111/ijag.14776

Similar Records in DOE PAGES and OSTI.GOV collections:

Synthesis and multinuclear NMR studies of (M(o-C sub 6 H sub 4 (TeMe) sub 2 )X sub 2 ) (M = Pd, Pt; X = Cl, Br, I). The presence of a characteristic ring contribution to sup 125 Te NMR chemical shifts

Journal Article Kemmitt, T ; Levason, W - Inorganic Chemistry; (USA)

The complexes (M(o-C{sub 6}H{sub 4}(TeMe){sub 2})X{sub 2}) (M = Pd, Pt; X = Cl, Br, I) and (N{sup n}Bu{sub 4})(Ir(o-C{sub 6}H{sub 4}(TeMe){sub 2})X{sub 4}) (X = Cl, Br) have been prepared, and characterized by analysis and uv-visible, ir, and multinuclear ({sup 1}H, {sup 195}Pt({sup 1}H), {sup 125}Te({sup 1}H))NMR spectroscopy. Two isomers, meso and dl invertomers, are present in each complex. The coordination shifts in the {sup 125}Te NMR spectra of the Pd and Pt complexes are compared with those reported for (M(PhTe(CH{sub 2}){sub 3}TePh)X{sub 2}) and for the analogous cis-(M(TeMePh){sub 2}x{sub 2}). It is found that, compared with the monodentatemore »« less
https://doi.org/10.1021/ic00329a032
¹²⁵Te NMR and Seebeck Effect in Bi₂Te₃ Synthesized from Stoichiometric and Te-Rich Melts

Journal Article Levin, E. M. ; Iowa State Univ., Ames, IA ; Riedemann, T. M. ; ... - Journal of Physical Chemistry. C

Bi₂Te₃ is a well-known thermoelectric material and, as a new form of quantum matter, a topological insulator. Variation of local chemical composition in Bi2Te3 results in formation of several types of atomic defects, including Bi and Te vacancies and Bi and Te antisite defects; these defects can strongly affect material functionality via generation of free electrons and/or holes. Nonuniform distribution of atomic defects produces electronic inhomogeneity, which can be detected by ¹²⁵Te nuclear magnetic resonance (NMR). Here we report on ¹²⁵Te NMR and Seebeck effect (heat to electrical energy conversion) for two single crystalline samples: (#1) grown from stoichiometric compositionmore »« less
Cited by 8
https://doi.org/10.1021/acs.jpcc.6b06973

Full Text Available
Structural studies of Bi ₂ O ₃ -Nb ₂ O ₅ -TeO ₂ glasses

Journal Article Wilding, Martin C. ; Delaizir, Gaelle ; Benmore, Chris J. ; ... - Journal of Non-Crystalline Solids

Bi₂O₃-Nb₂O₅-TeO₂ glasses show unusual annealing behavior with appearance of spherulites within the matrix glass structure for the Bi_0.5Nb_0.5Te₃O₈ composition. The textures resemble those found previously among polyamorphic Al₂O₃-Y₂O₃ glasses containing metastably co-existing high- and low-density phases produced during quenching. However the spherulites produced within the Bi₂O₃-Nb₂O₅-TeO₂ glass are crystalline and can be identified as an “anti-glass” phase related to β-Bi₂Te₄O₁₁. Here, we used high energy synchrotron X-ray diffraction data to study structures of binary and ternary glasses quenched from liquids within the Bi₂O₃-Nb₂O₅-TeO₂ system. These reveal a glassy network based on interconnected TeO₄ and TeO₃ units that is related tomore »« less
Cited by 12
https://doi.org/10.1016/j.jnoncrysol.2016.07.004

Full Text Available
Preparation and structure of BiCrTeO{sub 6}: A new compound in Bi–Cr–Te–O system. Thermal expansion studies of Cr{sub 2}TeO{sub 6}, Bi{sub 2}TeO{sub 6} and BiCrTeO{sub 6}

Journal Article Vats, Bal Govind ; Phatak, Rohan ; Krishnan, K. ; ... - Materials Research Bulletin

Graphical abstract: A new compound BiCrTeO{sub 6} in the Bi–Cr–Te–O system was prepared by solid state route and characterized by X-ray diffraction method. The crystal structure of BiCrTeO{sub 6} shows that there is one distinct site for bismuth (Bi) atom (pink color), one chromium rich (Cr/Te = 68/32) (blue/green color), one tellurium rich (Te/Cr = 68/32) sites (green/blue color), and one distinct site for oxygen (O) atom (red color) in the unit cell. All cations in this structure show an octahedral coordination with oxygen atoms at the corners. The thermogram (TG) of the compound in air shows that it ismore »« less
https://doi.org/10.1016/J.MATERRESBULL.2013.04.076
Short-Range Disorder in TeO₂ Melt and Glass

Journal Article Alderman, O. L. G. ; Benmore, C. J. ; Feller, S. ; ... - Journal of Physical Chemistry Letters

High-resolution X-ray pair distribution functions for molten and glassy TeO₂ reveal coordination numbers n_TeO ≈ 4. However, distinct from the known α-, β-, and γ-TeO₂ polymorphs, there is considerable short-range disorder such that no clear cutoff distance between bonded and nonbonded interactions exists. We suggest that this is similar to disorder in δ-TeO₂ and arises from a broad distribution of asymmetric Te–O–Te bridges, something that we observe becomes increasingly asymmetric with increasing liquid temperature. Such behavior is qualitatively consistent with existing interpretations of Raman scattering spectra, and equivalent to temperature-induced coordination number reduction, for sufficiently large cutoff radii. Therefore, TeO₂more »« less
Cited by 15
https://doi.org/10.1021/acs.jpclett.9b03231

Full Text Available

Similar Records

Title: Structure of TeO2 glass: Results from 2D 125Te NMR spectroscopy

Abstract

Citation Formats

Quantum Mechanical Study of Pre-Dissociation Enhancement of Linear and Nonlinear Polarizabilities of (TeO 2 ) n Oligomers as a Key to Understanding the Remarkable Dielectric Properties of TeO 2 Glasses journal, September 2012

Ab initio study of the nonlinear optical susceptibility of Te O 2 -based glasses journal, April 2006

Terminal Oxygens in Amorphous TeO 2 journal, June 2013

Synthesis, thermal and structural properties of pure TeO2 glass and zinc-tellurite glasses journal, February 2017

Short-Range Structure of TeO 2 Glass journal, December 2017

The crystal structure and absolute optical chirality of paratellurite, α-TeO 2 journal, September 1988

Crystal structure, Raman spectrum and lattice dynamics of a new metastable form of tellurium dioxide: γ-TeO2 journal, September 2000

Glass-forming ability of TeO 2 and temperature induced changes on the structure of the glassy, supercooled, and molten states journal, April 2015

Vibrational and structural properties of glass and crystalline phases of TeO2 journal, November 2003

125Te NMR Study of MO-TeO2(M=Mg, Zn, Sr, Ba and Pb) Glasses. journal, January 1999

The structure of tellurite glass: a combined NMR, neutron diffraction, and X-ray diffraction study journal, September 2000

Part 1. 125Te NMR study of tellurite crystals journal, January 1999

Part 2.125Te NMR study of M2O–TeO2 (M=Li, Na, K, Rb and Cs) glasses journal, January 1999

The Structure of Alkali Tellurite Glasses journal, January 2001

Alkali environments in tellurite glasses journal, April 2015

Structure of tellurite glasses—effects of K 2 O or P 2 O 5 additions studied by diffraction journal, April 2005

Structure of BaO-TeO2 glasses: A two-dimensional 125Te NMR spectroscopic study journal, February 2018

125 Te and 51 V static NMR study of V 2 O 5 -TeO 2 glasses journal, March 2000

Atomistic simulations of TeO 2 -based glasses: interatomic potentials and molecular dynamics journal, January 2014

TeO 2 glass properties from first principles journal, August 2008

Tellurium Speciation, Connectivity, and Chemical Order in As x Te 100– x Glasses: Results from Two-Dimensional 125 Te NMR Spectroscopy journal, January 2015

NMR nomenclature. Nuclear spin properties and conventions for chemical shifts(IUPAC Recommendations 2001) journal, January 2001

Modelling one- and two-dimensional solid-state NMR spectra: Modelling 1D and 2D solid-state NMR spectra journal, December 2001

Distribution of tellurite polymorphs in the xM2O–(1−x)TeO2 (M=Li, Na, K, Cs, and Rb) binary glasses using Raman spectroscopy journal, March 2012

Redetermination of MgTe 2 O 5 journal, October 2005

125 Te NMR Probes of Tellurium Oxide Crystals: Shielding-Structure Correlations journal, October 2017

Features of electronic polarizability and approach to unique properties in tellurite glasses journal, November 2019

Title: Structure of TeO₂ glass: Results from 2D ¹²⁵Te NMR spectroscopy

Quantum Mechanical Study of Pre-Dissociation Enhancement of Linear and Nonlinear Polarizabilities of (TeO ₂ ) _n Oligomers as a Key to Understanding the Remarkable Dielectric Properties of TeO ₂ Glasses
journal, September 2012

Ab initio study of the nonlinear optical susceptibility of $Te O_{2}$ -based glasses
journal, April 2006

Terminal Oxygens in Amorphous TeO ₂
journal, June 2013

Synthesis, thermal and structural properties of pure TeO2 glass and zinc-tellurite glasses
journal, February 2017

Short-Range Structure of TeO ₂ Glass
journal, December 2017

The crystal structure and absolute optical chirality of paratellurite, α-TeO ₂
journal, September 1988

Crystal structure, Raman spectrum and lattice dynamics of a new metastable form of tellurium dioxide: γ-TeO2
journal, September 2000

Glass-forming ability of TeO ₂ and temperature induced changes on the structure of the glassy, supercooled, and molten states
journal, April 2015

Vibrational and structural properties of glass and crystalline phases of TeO2
journal, November 2003

125Te NMR Study of MO-TeO2(M=Mg, Zn, Sr, Ba and Pb) Glasses.
journal, January 1999

The structure of tellurite glass: a combined NMR, neutron diffraction, and X-ray diffraction study
journal, September 2000

Part 1. 125Te NMR study of tellurite crystals
journal, January 1999

Part 2.125Te NMR study of M2O–TeO2 (M=Li, Na, K, Rb and Cs) glasses
journal, January 1999

The Structure of Alkali Tellurite Glasses
journal, January 2001

Alkali environments in tellurite glasses
journal, April 2015

Structure of tellurite glasses—effects of K ₂ O or P ₂ O ₅ additions studied by diffraction
journal, April 2005

Structure of BaO-TeO2 glasses: A two-dimensional 125Te NMR spectroscopic study
journal, February 2018

¹²⁵ Te and ⁵¹ V static NMR study of V ₂ O ₅ -TeO ₂ glasses
journal, March 2000

Atomistic simulations of TeO ₂ -based glasses: interatomic potentials and molecular dynamics
journal, January 2014

${TeO}_{2}$ glass properties from first principles
journal, August 2008

Tellurium Speciation, Connectivity, and Chemical Order in As _x Te _{100– x} Glasses: Results from Two-Dimensional ¹²⁵ Te NMR Spectroscopy
journal, January 2015

NMR nomenclature. Nuclear spin properties and conventions for chemical shifts(IUPAC Recommendations 2001)
journal, January 2001

Modelling one- and two-dimensional solid-state NMR spectra: Modelling 1D and 2D solid-state NMR spectra
journal, December 2001

Distribution of tellurite polymorphs in the xM2O–(1−x)TeO2 (M=Li, Na, K, Cs, and Rb) binary glasses using Raman spectroscopy
journal, March 2012

Redetermination of MgTe ₂ O ₅
journal, October 2005

¹²⁵ Te NMR Probes of Tellurium Oxide Crystals: Shielding-Structure Correlations
journal, October 2017

Features of electronic polarizability and approach to unique properties in tellurite glasses
journal, November 2019