Electrical conductivity of nonstoichiometric rutile single crystals from 1000° to 1500°C

Blumenthal, R. N.; Coburn, J. W.; Baukus, J. P.; Hirthe, W. M.

doi:10.1016/0022-3697(66)90215-0

Cited by 128 publications

(83 citation statements)

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“…This conclusion is in broad agreement with the results of Knauth and Tuller, 48 who explained the ionic conductivity behavior of nanocrystalline anatase in terms of a mechanism involving both Frenkel and Ti reduction reactions. In contrast, rutile is usually [50][51][52][53][54][55] Defect Clusters. It is well-known that interactions between charged defects can lead to defect clustering or trapping in metal oxides.…”

Section: Resultsmentioning

confidence: 99%

Defect Chemistry, Surface Structures, and Lithium Insertion in Anatase TiO₂

2006

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Atomistic simulation techniques are used to investigate the defect properties of anatase TiO 2 and Li x TiO 2 both in the bulk and at the surfaces. Interatomic potential parameters are derived that reproduce the lattice constants of anatase, and the energies of bulk defects and surface structures are calculated. Reduction of anatase involving interstitial Ti is found to be the most favorable defect reaction in the bulk, with a lower energy than either Frenkel or Schottky reactions. The binding energies of selected defect clusters are also presented: for the Ti 3+ -Li + defect cluster, the binding energy is found to be approximately 0.5 eV, suggesting that intercalated Li ions stabilize conduction band electrons. The Li ion migration path is found to run between octahedral sites, with an activation energy of 0.45-0.65 eV for mole fractions of lithium in Li x TiO 2 of x e 0.1. The calculated surface energies are used to predict the crystal morphology, which is found to be a truncated bipyramid in which only the (101) and (001) surfaces are expressed, in accord with the available microscopy data. Calculations of defect energies at the (101) surface suggest that single Ti 3+ defects and neutral Ti 3+ -Li + pairs tend to segregate to the surface.

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Section: Resultsmentioning

confidence: 99%

Defect Chemistry, Surface Structures, and Lithium Insertion in Anatase TiO₂

2006

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“…This will be achieved in the present study by simultaneous measurements of selfconfirmatory measurements of two electrical properties in well defined experimental conditions for polycrystalline 2 TiO [7]. The data of Blumenthal et al [11][12][13] [32], suggest that the related electrical properties may be considered in terms of the models described by the Strongly Reduced Regime and the Reduced Regime. Figure 3 represents a collection of the reported electrical conductivity data at 1273 K. As seen, there is a substantial scatter of both absolute values of data and their temperature dependence.…”

Section: Brief Reference Overviewmentioning

confidence: 94%

Electrical properties of polycrystalline TiO₂ at elevated temperatures. Electrical conductivity

Nowotny

Бак

Burg

2007

Physica Status Solidi (b)

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IN MEMORIAM. This paper is dedicated to the memory of Dr. J. Bruce Wagner, Jr. (1926–2006), long time Professor of Materials Science and Engineering at the Northwestern University, Evanston, IL and Regents Professor of the Arizona State University, Tempe, AZ. Professor Wagner was prominent scientist in the area of solid‐state science, electrochemistry and high temperature chemistry. He served as Director of the Material Research Centre at the Technological Institute of Northwestern University, Director of the Centre for Solid State Science at the Arizona State University. He was also the President of the Electrochemical Society.The present work reports the electrical properties for high purity polycrystalline TiO2 using the measurements of electrical conductivity in the temperature range 1123–1323 K and in the gas phase of controlled oxygen activity (10–13 Pa < p (O2) < 105 Pa). The slope of the log σ vs. log p (O2) dependence is –1/5.4, which is considered in terms of mixed electronic and ionic compensation. The electrical conductivity data within the n –p transition were used for the determination of the conductivity components related to electrons, electron holes and ions. These data were used for the determination of the n –p transition point. The band gap determined from the conductivity components related to electronic charge carriers is equal to 2.8 eV. (© 2007 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)

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“…[9][10][11][12] Although very rare, titanium vacancies 13 have also been studied. Several experimental [13][14][15][16][17] and theoretical [4][5][6]12 investigations have been performed in order to understand the role that point defects play in determining the physical and chemical properties of TiO 2−x .…”

Section: Introductionmentioning

confidence: 99%

Thermodynamics of oxygen defective Magnéli phases in rutile: A first-principles study

2008

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Ab initio thermodynamics has been used to calculate the formation energies, in different environmental conditions, for a number of oxygen-defective structures in rutile. In addition to the Ti n O 2n−1 ͑3 ഛ n ഛ 5͒ Magnéli phases, the two fundamental points defects, Ti interstitials and neutral oxygen vacancies, were also considered. The predicted phase stability is compared to available experimental data and there is reasonable agreement between the calculated phase boundaries and those observed. These results are used to discuss a mechanism that has been proposed as an explanation for the formation of the crystallographic shear planes in rutile.

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Electrical conductivity of nonstoichiometric rutile single crystals from 1000° to 1500°C

Cited by 128 publications

References 11 publications

Defect Chemistry, Surface Structures, and Lithium Insertion in Anatase TiO₂

Defect Chemistry, Surface Structures, and Lithium Insertion in Anatase TiO₂

Electrical properties of polycrystalline TiO₂ at elevated temperatures. Electrical conductivity

Thermodynamics of oxygen defective Magnéli phases in rutile: A first-principles study

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Electrical conductivity of nonstoichiometric rutile single crystals from 1000° to 1500°C

Cited by 128 publications

References 11 publications

Defect Chemistry, Surface Structures, and Lithium Insertion in Anatase TiO2

Defect Chemistry, Surface Structures, and Lithium Insertion in Anatase TiO2

Electrical properties of polycrystalline TiO2 at elevated temperatures. Electrical conductivity

Thermodynamics of oxygen defective Magnéli phases in rutile: A first-principles study

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Product

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Defect Chemistry, Surface Structures, and Lithium Insertion in Anatase TiO₂

Defect Chemistry, Surface Structures, and Lithium Insertion in Anatase TiO₂

Electrical properties of polycrystalline TiO₂ at elevated temperatures. Electrical conductivity