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Relevant bibliographies by topics / Defect pyrochlore

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Academic literature on the topic 'Defect pyrochlore'

Author: Grafiati

Published: 4 June 2021

Last updated: 7 February 2022

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Journal articles on the topic "Defect pyrochlore"

1

Gunn, David S. D., John A. Purton, and Ilian T. Todorov. "Simulating Radiation-Induced Defect Formation in Pyrochlores." MRS Proceedings 1514 (2013): 15–20. http://dx.doi.org/10.1557/opl.2013.197.

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ABSTRACTThe accuracy and robustness of new Buckingham potentials for the pyrochlores Gd2Ti2O7 and Gd2Zr2O7 is demonstrated by calculating and comparing values for a selection of point defects with those calculated using a selection of other published potentials and our own ab inito values. Frenkel pair defect formation energies are substantially lowered in the presence of a small amount of local cation disorder. The activation energy for oxygen vacancy migration between adjacent O48f sites is calculated for Ti and Zr pyrochlores with the energy found to be lower for the non-defective Ti than f

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Rushton, M. J. D., Robin W. Grimes, C. R. Stanek, and Scott Owens. "Predicted pyrochlore to fluorite disorder temperature for A2Zr2O7 compositions." Journal of Materials Research 19, no. 6 (2004): 1603–4. http://dx.doi.org/10.1557/jmr.2004.0231.

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In a previous publication the order–disorder pyrochlore to fluorite transformation temperatures for a series of A2Hf2O7 pyrochlores were predicted [C.R. Stanek and R.W. Grimes: Prediction of rare-earth A2Hf2O7 pyrochlore phases. J. Am. Ceram. Soc. 2002, 85, p. 2139]. This was facilitated by establishing a relationship between these temperatures and the energy required to introduce a specific defect structure into the perfect pyrochlore lattice. Here an equivalent relationship for A2Zr2O7 pyrochlores was generated, and from this the disorder temperatures for a number of compositions including E

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Goh, Gregory K. L., Sossina M. Haile, Carlos G. Levi, and Fred F. Lange. "Hydrothermal synthesis of perovskite and pyrochlore powders of potassium tantalate." Journal of Materials Research 17, no. 12 (2002): 3168–76. http://dx.doi.org/10.1557/jmr.2002.0458.

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Potassium tantalate powders were hydrothermally synthesized at 100 to 200 °C in 4 to 15 M aqueous KOH solutions. A defect pyrochlore, Kta2O5(OH). nH2O (n ≈ 1.4), was obtained at 4 M KOH, but at 7–12 M KOH, this pyrochlore was gradually replaced by a defect perovskite as the stable phase. At 15 M KOH, there was no intermediate pyrochlore, only a defect perovskite, 0.85Ta0.92O2.43(OH)0.57 0.15H2O. Synthesis at higher KOH concentrations led to greater incorporation of protons in the perovskite structures. The potassium vacancies required for charge compensation of incorporated protons could accom

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Withers, RL, JG Thompson, PJ Barlow, and JC Barry. "The Defect Fluorite Phase in the ZrO2-PrO1.5 System and Its Relationship to the Structure of Pyrochlore." Australian Journal of Chemistry 45, no. 9 (1992): 1375. http://dx.doi.org/10.1071/ch9921375.

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A detailed transmission electron microscope and X-ray powder diffraction study has been made of the so-called 'defect fluorite' phase field in the ZrO2-PrO1.5 system and of its close relationship to the pyrochlore solid solution field in the same system. Even for the lowest possible PrO1.5 content within the 'defect fluorite' phase field, it is clear that the sharp Bragg reflections characteristic of the underlying fluorite average structure are accompanied by some of the 'satellite reflections' characteristic of the pyrochlore solid solution field. As the PrO1.5 content increases, these satel

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Kennedy, Brendan, Peter Blanchard, Emily Reynolds, and Zhaoming Zhang. "Transformation from pyrochlore to fluorite by diffraction and X-ray spectroscopy." Acta Crystallographica Section A Foundations and Advances 70, a1 (2014): C234. http://dx.doi.org/10.1107/s2053273314097654.

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We have studied the long-range average and local structures in a number of zirconium containing materials of the type A2B2O7 ( A = Ln or Y; B = Zr, Hf or Sn) using synchrotron X-ray and neutron powder diffraction and X-ray absorption spectroscopy. Studies of the system Gd2-xTbxZr2O7 include neutron diffraction data, obtained at λ ≍ 0.497 Å to minimise absorption, not only provide evidence for independent ordering of the anion and cation sublattices, but also suggest that the disorder transition across the pyrochlore-defect fluorite boundary of Ln2Zr2O7 is rather gradual. In general we observe

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Zhang, Hui Ling, Qun Bo Fan, Fu Chi Wang, and Feng Zhang. "Atomistic Simulation of Defect Energy in Pyrochlores and its Effect on Disorder." Key Engineering Materials 368-372 (February 2008): 1689–91. http://dx.doi.org/10.4028/www.scientific.net/kem.368-372.1689.

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To enhance the high-temperature stability of zirconate pyrochlore structures, one has to focus on their transformation to the disordered state, fluorite. An atomistic simulation calculation is presented in this paper to predict the propensity of rare earth zirconate pyrochlores to transform to fluorite at high temperature. By detailed calculation of defect formation energy of cation antisites and Frenkel pair, as well as their interactions, the mechanisms of disorder transformation are ascertained. The results show that the tendency of cation disorder is less than the anion’s and disorder tran

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7

Isasi, J. "Ionic conductivity of a new defect pyrochlore." Solid State Ionics 89, no. 3-4 (1996): 321–26. http://dx.doi.org/10.1016/0167-2738(96)00351-7.

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Goh, Gregory K. L., Carlos G. Levi, and Fred F. Lange. "Hydrothermal epitaxy of KtaO3 thin films." Journal of Materials Research 17, no. 11 (2002): 2852–58. http://dx.doi.org/10.1557/jmr.2002.0414.

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Heteroepitaxial KTaO3 thin films were synthesized by the hydrothermal method below 175 °C in highly alkaline aqueous KOH solutions. KTaO3 films synthesized in 7 M KOH solutions contained a defect pyrochlore phase that had (400) and (111) out-of-plane orientations. The (400) oriented pyrochlore islands were epitaxially related to the (100) SrTiO3 substrate while the (111) oriented pyrochlore islands had four in-plane variants. Pyrochlore-free KTaO3 films could be synthesized in a 15 M KOH solution. Pyrochlore-free films were also grown at 7 M KOH by delaying the introduction of the (100) SrTiO3

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Han, Yong Nam, Shihui Jiao, Man Xu, Yaohua Xu, Guangsheng Pang, and Shouhua Feng. "The luminescence of ion-exchangeable defect pyrochlore KNbWO6·H2O:xEu3+." RSC Adv. 4, no. 46 (2014): 24142–46. http://dx.doi.org/10.1039/c4ra02722a.

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Sang, Hong-Yi, and Jing-Feng Li. "Thermoelectric properties of AgSbO3 with defect pyrochlore structure." Journal of Alloys and Compounds 493, no. 1-2 (2010): 678–82. http://dx.doi.org/10.1016/j.jallcom.2009.12.190.

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Dissertations / Theses on the topic "Defect pyrochlore"

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Wilde, Peter Joseph. "The defect chemistry of pyrochlore structured oxides." Thesis, University College London (University of London), 1996. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.309471.

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Sprague, John Jason 1971. "Mixed conduction and defect chemistry of manganese and molybdenum substituted gadolinium titanate pyrochlore." Thesis, Massachusetts Institute of Technology, 1999. http://hdl.handle.net/1721.1/85250.

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Spears, Marlene Ann. "Defect chemistry and electrical properties of ruthenium- and bismuth-substituted gadolinium titanate pyrochlore." Thesis, Massachusetts Institute of Technology, 1995. http://hdl.handle.net/1721.1/11443.

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Zakharchuk, Kiryl. "Defect chemistry of pyrochlore-type (Gd,Ca)₂(Ti,Mo)₂O₇ for prospective electrocatalytic applications." Master's thesis, Universidade de Aveiro, 2017. http://hdl.handle.net/10773/21877.

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Mestrado em Engenharia de Materiais<br>O principal objetivo deste trabalho foi a caracterização de soluções sólidas derivadas do pirocloro Gd2Ti2O7 com co-substituições de Gd e Ti por Ca e Mo, respetivamente, para eventuais aplicações electrocatalíticas. O trabalho foi motivado por desvantagens dos ânodos cermetos de Ni-YSZ propostos para pilhas de combustível, designadamente degradação microestrutural, intolerância a alterações redox, contaminação com enxofre e deposição de carvão. Os pirocloros à base de Gd2Ti2O7 foram considerados adequados para o desenvolvimento de componentes para

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Barnes, Paris W. "Exploring structural changes and distortions in quaternary perovskites and defect pyrochlores using powder diffraction techniques." Columbus, Ohio : Ohio State University, 2003. http://rave.ohiolink.edu/etdc/view?acc%5Fnum=osu1064346592.

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Thesis (Ph. D.)--Ohio State University, 2003.<br>Title from first page of PDF file. Document formatted into pages; contains xxvi, 255 p.; also includes graphics. Includes abstract and vita. Advisor: Patrick M. Woodward, Dept. of Chemistry. Includes bibliographical references (p. 221-228).

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Mitchell, Martin R. "Investigation of structure and disorder in inorganic solids using solid-state NMR." Thesis, University of St Andrews, 2013. http://hdl.handle.net/10023/3367.

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The use of solid-state NMR and DFT calculations to study Y₂Sn[subscript(x)]Ti[subscript(2-x)]O₇, Y₂Sn[subscript(x)]Zr[subscript(2-x)]O₇ and Y₂Ti[subscript(x)]Zr[subscript(2-x)]O₇, materials with applications for the safe encapsulation of radioactive actinides is investigated. As a result of cation or anion disorder in these materials, NMR spectra are often complex and difficult to interpret. Therefore, an investigation using a range of NMR active nuclei and measurement of a variety of NMR parameters (isotropic chemical shift, δ[subscript(iso)]; span, Ω and quadrupolar coupling, C[subscript(Q)]

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Knapp, Meghan C. "Investigations into the structure and properties of ordered perovskites, layered perovskites, and defect pyrochlores." Columbus, Ohio : Ohio State University, 2006. http://rave.ohiolink.edu/etdc/view?acc%5Fnum=osu1149097068.

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Sneddon, Scott. "Characterisation of inorganic materials using solid-state NMR spectroscopy." Thesis, University of St Andrews, 2016. http://hdl.handle.net/10023/8239.

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This thesis uses solid-state nuclear magnetic resonance (NMR) spectroscopy and density functional theory (DFT) calculations to study local structure and disorder in inorganic materials. Initial work concerns microporous aluminophosphate frameworks, where the importance of semi-empirical dispersion correction (SEDC) schemes in structural optimisation using DFT is evaluated. These schemes provide structures in better agreement with experimental diffraction measurements, but very similar NMR parameters are obtained for any structures where the atomic coordinates are optimised, owing to the simila

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Weiß, Morten [Verfasser], and Roland [Akademischer Betreuer] Marschall. "Optimisation of the Photocatalytic Activity of Defect-Pyrochlores,especially in Visible Light / Morten Weiß ; Betreuer: Roland Marschall." Bayreuth : Universität Bayreuth, 2021. http://d-nb.info/1227444613/34.

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Ramón, Jonathan Gustavo Acosta. "Vacâncias de oxigênio e diluição de ítrio no pirocloro geometricamente frustrado Gd2Ti2O7." Universidade de São Paulo, 2015. http://www.teses.usp.br/teses/disponiveis/43/43134/tde-22022016-170657/.

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O composto magnético geometricamente frustrado Gd2Ti2O7 da família dos pirocloros apresenta um comportamento bastante interessante, sendo que a natureza da fase magnética em baixas temperaturas se encontra ainda sob intenso debate. Este material entra em um estado antiferromagnético parcialmente ordenado à temperatura T1N ~ 1 K, apresentando outra transição de fase em T2N ~ 0.7 K. Neste trabalho é investigada a física de baixas temperaturas de amostras de Gd2Ti2O7 com defeitos estruturais tais como vacâncias de oxigênio e diluição de ítrio. Amostras policristalinas com composição Gd2Ti2O7 e Gd

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Book chapters on the topic "Defect pyrochlore"

1

Hashizume, Takashi, Atsushi Saiki, and Shogo Miwa. "Crystal Structure of the Defect Pyrochlore Potassium Tantalate on Ion-Exchanging Dipping in Sodium Aqueous Solution by Rietveld Analysis." In Ceramic Transactions Series. John Wiley & Sons, Inc., 2018. http://dx.doi.org/10.1002/9781119494096.ch14.

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Zhang, Hui Ling, Qun Bo Fan, Fu Chi Wang, and Feng Zhang. "Atomistic Simulation of Defect Energy in Pyrochlores and its Effect on Disorder." In High-Performance Ceramics V. Trans Tech Publications Ltd., 2008. http://dx.doi.org/10.4028/0-87849-473-1.1689.

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Conference papers on the topic "Defect pyrochlore"

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Stewart, M. W. A., D. Begg, K. Finnie, et al. "Ion Irradiation Damage in Zirconate and Titanate Ceramics for Pu Disposition." In ASME 2003 9th International Conference on Radioactive Waste Management and Environmental Remediation. ASMEDC, 2003. http://dx.doi.org/10.1115/icem2003-4746.

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A wasteform must meet several key requirements: (i) aqueous durability as related to a repository environment, the measurement of which must also allow for long-term processes such as radiation damage and annealing; (ii) the compositional flexibility to cope with real waste streams, which are often variable and not well characterised; (iii) the wasteform must be easy to process and the process parameters must be large enough to cope with changes; and, (iv) the waste loading must be high enough to make the wasteform economically viable. In this paper, we discuss the effect of ion irradiation on

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