Relevant bibliographies by topics / Oxygen vacancy

Academic literature on the topic 'Oxygen vacancy'

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Published: 4 June 2021
Last updated: 20 February 2023

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Journal articles on the topic "Oxygen vacancy"

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Shyichuk, A., and E. Zych. "Oxygen Vacancy, Oxygen Vacancy–Vacancy Pairs, and Frenkel Defects in Cubic Lutetium Oxide." Journal of Physical Chemistry C 124, no. 28 (June 12, 2020): 14945–62. http://dx.doi.org/10.1021/acs.jpcc.0c00974.

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CHEN, WEN-KAI, BAO-ZHEN SUN, XIA WANG, and CHUN-HAI LU. "THE ROLE OF SURFACE OXYGEN VACANCY IN N2O DECOMPOSITION ON Cu2O(111) SURFACE: A DFT STUDY." Journal of Theoretical and Computational Chemistry 07, no. 02 (April 2008): 263–76. http://dx.doi.org/10.1142/s0219633608003733.

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The role of a surface oxygen vacancy in the N 2 O dissociation over a Cu 2 O surface was studied using density functional theory — generalized gradient approximation periodic calculations. To perform this study, surface slab model — [Formula: see text] surface cell was used. The results indicated that N 2 O adsorption properties were associated with the surface oxygen vacancies. The presence of a surface oxygen vacancy, prepared by removing one O SUF atom from [Formula: see text] supercell, makes the N 2 O decomposition possible, which was believed to occur at a oxygen vacancy site. The N 2 O decomposition at the surface oxygen vacant site depends on whether the molecule is adsorbed with the O - or N -end on a vacancy. For the first case, the reaction proceeds spontaneously, which leads to an ejection of N 2 from the surface and the rest of the oxygen atoms occupying the vacancy. In the second case, even though there is an elongation of both N – N and N – O bonds, the dissociation is unfeasible due to very small adsorption energy and high activation energy. The role of the defective surface with surface oxygen vacancy is to provide electrons to the adsorbed molecule.
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Chen, X. Y., L. H. Zhang, Y. P. Wang, S. Q. Wu, Z. F. Hou, and Z. Z. Zhu. "First-Principles Studies on the Formation of Oxygen Vacancies in Li2CoSiO4." Journal of The Electrochemical Society 168, no. 11 (November 1, 2021): 110527. http://dx.doi.org/10.1149/1945-7111/ac35ce.

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The existence of oxygen vacancy has a significant effect on the structural and electronic properties of Li2CoSiO4. Herein, the formation energy of an oxygen vacancy (V O) in Li2CoSiO4 in different oxidation environments is calculated by using a first-principles method. The increased temperature, decreased oxygen partial pressure, and the increased charge state of O vacancy reduce the formation energy of the oxygen vacancy. The presence of V O is accompanied by a distinct redistribution of the electronic charge densities only around the Co and Si ions next to the O-vacancy site, which shows a very local influence on the host material arising from V O. Furthermore, the existence of vacancy defects ( V L i 1 , V L i 2 , V C o and V S i ) in the vicinity of the O vacancy are found to be beneficial to the formation of the O vacancy. The substitutional defects, M n C o and N i C o , near the O vacancy are found to increase the formation energy of the oxygen vacancy, however, F e C o decreases the formation energy of the O vacancy.
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Mastrikov, Yuri A., Denis Gryaznov, Guntars Zvejnieks, Maksim N. Sokolov, Māra Putniņa, and Eugene A. Kotomin. "Sr Doping and Oxygen Vacancy Formation in La1−xSrxScO3−δ Solid Solutions: Computational Modelling." Crystals 12, no. 9 (September 14, 2022): 1300. http://dx.doi.org/10.3390/cryst12091300.

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Sr-doped lanthanum scandate La1−xSrxScO3−δ (LSS) is a promising perovskite-type material for electrochemical applications such as proton conductors. Oxygen vacancy is a common defect in ABO3-type perovskites. It controls ion transport as well as proton uptake. The energetic, structural, and electronic properties of oxygen vacancy in LSS are studied deploying the DFT method with meta-GGA functional. The vacancy formation energies in LSS were calculated for various Sr concentrations. Unlike other perovskites, in this material, the electrons are trapped at the oxygen vacancy site (the F-type centres, common in ionic oxides like MgO and Al2O3) rather than localised on the nearest to the vacancy B-cations. The process of oxygen vacancy formation is considered relative to Sr concentration x and oxygen nonstoichiometry factor δ. Three primary regimes are discussed: (I) localized at the vacancy electrons, x/δ < 2, (II) electron charge balanced system, x/δ = 2, and (III) delocalized electron holes, x/δ > 2. For x/δ ≥ 2 oxygen vacancy formation energy reaches the saturation level of ~3.5 eV, which is potentially beneficial for the proton uptake.
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Huang, Yanmei, Yu Yu, Yifu Yu, and Bin Zhang. "Oxygen Vacancy Engineering in Photocatalysis." Solar RRL 4, no. 8 (March 31, 2020): 2000037. http://dx.doi.org/10.1002/solr.202000037.

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Peng, Yin-Hui, Chang-Chun He, Yu-Jun Zhao, and Xiao-Bao Yang. "Multi-peak emission of In2O3 induced by oxygen vacancy aggregation." Journal of Applied Physics 133, no. 7 (February 21, 2023): 075702. http://dx.doi.org/10.1063/5.0135162.

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Oxygen vacancy is crucial to the optical properties in In[Formula: see text]O[Formula: see text], however, the single oxygen vacancy model fails to explain the observed multi-peak emission in the experiment. Herein, we have theoretically investigated the diversity of oxygen vacancy distribution, revealing the relationship between the defect configurations and the optical properties. Combining the first-principles calculations and bayesian regularized artificial neural networks, we demonstrate that the structural stability can be remarkably enhanced by multi-oxygen vacancy aggregation, which will evolve with the defect concentration and temperature. Notably, our results indicate that the single oxygen vacancy will induce the emission peaks centered at 1.35 eV, while multi-peak emission near 2.35 eV will be attributed to the distribution of aggregated double oxygen vacancies. Our findings provide a comprehensive understanding of multi-peak emission observed in In[Formula: see text]O[Formula: see text], and the rules of the vacancy distribution may be extended for other metal oxides to modulate the optical properties in practice.
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Li, Tong, Qi Wang, and Zhou Wang. "Oxygen Vacancy Injection on (111) CeO2 Nanocrystal Facets for Efficient H2O2 Detection." Biosensors 12, no. 8 (August 3, 2022): 592. http://dx.doi.org/10.3390/bios12080592.

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Facet and defect engineering have achieved great success in improving the catalytic performance of CeO2, but the inconsistent reports on the synergistic effect of facet and oxygen vacancy and the lack of investigation on the heavily doped oxygen vacancy keeps it an attractive subject. Inspired by this, CeO2 nanocrystals with selectively exposed crystalline facets (octahedron, cube, sphere, rod) and abundant oxygen vacancies have been synthesized to investigate the synergistic effect of facet and heavily doped oxygen vacancy. The contrasting electrochemical behavior displayed by diverse reduced CeO2 nanocrystals verifies that oxygen vacancy acts distinctly on different facets. The thermodynamically most stable CeO2 octahedron enclosed by heavily doped (111) facets surprisingly exhibited the optimum non-enzymatic H2O2 sensing performance, with a high sensitivity (128.83 µA mM−1 cm−2), a broad linear range (20 µM~13.61 mM), and a low detection limit (1.63 µM). Meanwhile, the sensor presented satisfying selectivity, repeatability, stability, as well as its feasibility in medical disinfectants. Furthermore, the synergistic effect of facet and oxygen vacancy was clarified by the inclined distribution states of oxygen vacancy and the electronic transmission property. This work enlightens prospective research on the synergistic effect of alternative crystal surface engineering strategies.
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Chen, Dong, Fei Gao, Hui-Qiu Deng, Bo Liu, Wang-Yu Hu, and Xin Sun. "Migration of defect clusters and xenon-vacancy clusters in uranium dioxide." International Journal of Modern Physics B 28, no. 18 (June 3, 2014): 1450120. http://dx.doi.org/10.1142/s0217979214501203.

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The possible transition states, minimum energy paths (MEPs) and migration mechanisms of defect clusters and xenon-vacancy defect clusters in uranium dioxide ( UO 2) have been investigated using the dimer and the nudged elastic-band (NEB) methods. The nearby O atom can easily hop into the oxygen vacancy position by overcoming a small energy barrier, which is much lower than that for the migration of a uranium vacancy. A simulation for a vacancy cluster consisting of two oxygen vacancies reveals that the energy barrier of the divacancy migration tends to decrease with increasing the separation distance of divacancy. For an oxygen interstitial, the migration barrier for the hopping mechanism is almost three times larger than that for the exchange mechanism. Xe moving between two interstitial sites is unlikely a dominant migration mechanism considering the higher energy barrier. A net migration process of a Xe-vacancy pair containing an oxygen vacancy and a xenon interstitial is identified by the NEB method. We expect the oxygen vacancy-assisted migration mechanism to possibly lead to a long distance migration of the Xe interstitials in UO 2. The migration of defect clusters involving Xe substitution indicates that Xe atom migrating away from the uranium vacancy site is difficult.
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Das, Tridip, Jason D. Nicholas, and Yue Qi. "Polaron size and shape effects on oxygen vacancy interactions in lanthanum strontium ferrite." Journal of Materials Chemistry A 5, no. 47 (2017): 25031–43. http://dx.doi.org/10.1039/c7ta06948k.

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Yuhara, S., Yorinobu Takigawa, Tokuteru Uesugi, and Kenji Higashi. "Effect of Co-Doping Cation on Phase Stability of Zirconia Bioceramics in Hot Water." Advanced Materials Research 26-28 (October 2007): 773–76. http://dx.doi.org/10.4028/www.scientific.net/amr.26-28.773.

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Phase stability of cation co-doped zirconia ceramics is examined. As the result, in contrast to the result in small amount of single cation doped zirconia, phase stability of co-doped zirconia ceramics can not be simply explained from ionic radius and valency of dopant or from the change in axis ratio. We focus on oxygen vacancy concentration and binding energy between oxygen vacancy and doped cation. By estimating phase stability from these factors, it is found that concentration of oxygen vacancy and the binding energy between the dopant and the oxygen vacancy are important factors for understanding the phase stability of zirconia ceramics.
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Dissertations / Theses on the topic "Oxygen vacancy"

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Kullgren, Jolla. "Oxygen Vacancy Chemistry in Ceria." Doctoral thesis, Uppsala universitet, Strukturkemi, 2012. http://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-167521.

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Cerium(IV) oxide (CeO2), ceria, is an active metal oxide used in solid oxide fuel cells and for the purification of exhaust gases in vehicle emissions control. Behind these technically important applications of ceria lies one overriding feature, namely ceria's exceptional reduction-oxidation properties. These are enabled by the duality of the cerium ion which easily toggles between Ce4+ and Ce3+. Here the cerium 4f electrons and oxygen vacancies (missing oxygen ions in the structure) are key players. In this thesis, the nature of ceria's f electrons and oxygen vacancies are in focus, and examined with theoretical calculations. It is shown that for single oxygen vacancies at ceria surfaces, the intimate coupling between geometrical structure and electron localisation gives a multitude of almost degenerate local energy mimima. With many vacancies, the situation becomes even more complex, and not even state-of-the-art quantum-mechanical calculations manage to predict the experimentally observed phenomenon of vacancy clustering. Instead, an alternative set of computer experiments managed to produce stable vacancy chains and trimers consistent with experimental findings from the literature and revealed a new general principle for surface vacancy clustering. The rich surface chemistry of ceria involves not only oxygen vacancies but also other active oxygen species such as superoxide ions (O2−). Experiments have shown that nanocrystalline ceria demonstrates an unusually large oxygen storage capacity (OSC) and an appreciable low-temperature redox activity, which have been ascribed to superoxide species. A mechanism explaining these phenomena is presented. The ceria surface is also known to interact with SOx molecules, which is relevant both in the context of sulfur poisoning of ceria-based catalysts and sulfur recovery from them. In this thesis, the sulfur species and key mechanisms involved are identified.
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Chen, Haiyan. "Probing Defects and Electronic Processes on Gadolinia-doped Ceria Surfaces Using Electron Stimulated Desorption." Diss., Georgia Institute of Technology, 2006. http://hdl.handle.net/1853/10427.

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Probing Defects and Electronic Processes on Gadolinia-doped Ceria Surfaces Using Electron Stimulated Desorption Haiyan Chen 133 Pages Directed by Professor Thomas M. Orlando Polycrystalline gadolinia-doped ceria (GDC) has been widely investigated as a promising low temperature solid oxide fuel cell (SOFC) electrolyte and as part of composite electrodes. In this thesis, electron stimulated desorption (ESD) has been used to probe the defect related electronic properties of GDC surfaces and the interactions of water and molecular oxygen with these surfaces. In particular, the electron irradiation induced surface charging of GDC has been found to be dependent on the incident electron energy: negative at lower energy and positive at higher energy. Trapping of electrons and holes by the gadolinium aggregated, oxygen vacancy rich grain boundaries has been considered as the origin of surface charging. Depending on the sample treatment, there can be various defects, hydroxyl groups, chemically adsorbed water molecules, or water dimers on GDC surfaces. Water and molecular oxygen interact primarily with defect sites. Systematic investigations of electron stimulated O+ desorption have yielded activation energies relevant to oxygen vacancy production on ceria surfaces, and to surface positive charge dissipation related to ionic conduction of GDC. Highly efficient electron stimulated O+ desorption from GDC surfaces has been attributed to the lowered charge density on oxygen ions coordinated with oxygen vacancy clusters and thus may be used as a probe for surface defect types. Electron stimulated desorption of O2+ from GDC surfaces during molecular oxygen adsorption has shown the ability of ESD to detect chemically adsorbed O2. The velocity distributions of O2+ can be used to probe intermediate adsorption species such as O2, as well as the positive charge of the surface. Overall, this thesis has demonstrated that ESD can provide important information on the kinetics and dynamics of surface charging, charge transport, adsorption and reactions occurring at defective insulating metal oxides materials. The abilities to probe the defects and their roles in surface processes make ESD a valuable technique for surface chemistry and catalysis studies.
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Wang, Xiaoshuang. "Multiscale modeling of oxygen and vacancy diffusion in dilute ferritic iron alloys." Technische Universität Dresden, 2020. https://tud.qucosa.de/id/qucosa%3A72722.

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Iron-based ferritic alloys are used for a plethora of industrial applications. These alloys contain foreign atoms purposely employed to improve certain properties as well as some unwanted impurities introduced during fabrication. Materials properties are decisively influenced by diffusion processes. Very often diffusion cannot be avoided during fabrication and application. Therefore, many efforts are made to understand the underlying atomic-level mechanisms by both experimental and theoretical investigations. In this thesis work a multiscale modelling approach is used to study oxygen and vacancy diffusion in dilute ferritic iron alloys. Due to the extremely low solubility of oxygen the measurement of oxygen diffusion in iron is difficult. Only few experimental data are available. Experimental investigation of vacancy migration is still more complicated. The lack of reliable experimental data is therefore an important motivation for theoretical investigations. Gaining fundamental data on oxygen and vacancy diffusion in dilute iron alloys is essential for many applications. Oxygen plays a crucial role in the corrosion of iron-based alloys. Oxygen and the vacancy are also important in the formation and evolution of Y-Ti-O nanoclusters in oxide dispersion strengthened ferritic Fe-Cr alloys, which are considered as promising candidates for structural materials of future fusion and fission reactors. Furthermore, vacancies are formed during neutron and ion irradiation and their diffusion affects radiation-induced nanostructure formation in ferritic alloys. In the first part of this thesis work, the diffusion of interstitial oxygen under the influence of substitutional atoms or solutes (Al, Si, P, S, Ti, Cr, Mn, Ni, Y, Mo and W) in bcc Fe is investigated by the combination of Density Functional Theory (DFT) and Atomistic Kinetic Monte Carlo (AKMC) simulations. The substitutional atoms are assumed to be immobile because oxygen diffusion is much faster than that of the solutes. DFT is applied to gain data on binding energies between interstitial oxygen and the substitutional foreign atoms, and to calculate the migration barriers for oxygen in the environment of the solutes. Using the migration barriers obtained by DFT, the diffusion coefficient of oxygen is determined by AKMC simulation. It is found that Si, P, Ni, Mo, and W have negligible influence on the oxygen diffusion coefficient. Al, Cr, Mn, S, Ti, and Y cause a considerable reduction of oxygen mobility. In these cases, the temperature dependence of oxygen diffusivity shows deviations from Arrhenius behavior. This is explained in detail by the significant temperature dependence of the ratio between residence times in the respective states. In the second part of the work a method is presented which allows for an efficient calculation of the diffusion coefficient of oxygen and other interstitial atoms in dilute alloys. The method is applied to examples considered in the first part of the work. The calculation procedure is based on the separation of the diffusion path into a contribution related to migration in the interaction region between the mobile interstitial and the substitutional solute and another part related to diffusion in perfect bcc Fe. In this manner AKMC simulation must be performed only for one concentration of the substitutional solute, and the obtained results can be employed to obtain data for other concentrations using analytical expressions containing binding energies between the interstitial and the substitutional solute. The focus of third part of the work is on the mutual dependence of oxygen and vacancy diffusion in bcc Fe and dilute iron alloys. Here both O and v must be considered as mobile while the substitutional atoms are assumed to be immobile. DFT is applied to determine the binding energy between O and v for different distances, the migration barriers for O in the environment of v, and the corresponding barriers of v in the vicinity of O. In agreement with previous work O and v have a very strong binding at the 1st neighbor distance. On the other hand, the calculations show that the Ov pair at the 6th neighbor distance is instable. The newly found simultaneous or coupled jumps of both O and v compensate the lack of jump paths that would occur due to this instability. The DFT results are employed to determine the diffusion coefficient of O and v using the scheme of the AKMC-based calculation method presented in the second part of the thesis work. At first a model system with fixed O and v concentrations is studied. It is found that a small v content of some ppm can already lead to a strong reduction of the O diffusivity. A similar effect is obtained for v diffusion under the influence of O. Furthermore, investigations on the interdependence of O and v diffusion during thermal processing of oxide dispersion strengthened iron alloys are performed, and the influence of the substitutional atoms Y and Ti is studied. A simple thermodynamic model is employed to determine the concentration of O, Y, and Ti monomers as well as the total v concentration, for a typical total content of O, Y, and Ti. These results are used in calculations of the diffusion coefficients of O and v. Not only a strong mutual dependence but also a significant influence of Y on O diffusion is found. Finally, O and v diffusivities in a system with a total O content close to the thermal solubility are calculated. The monomer O concentration as well as the total v concentration was determined using two different models considering equilibrium of O and v with Ov, or equilibrium of O and v with Ov and O2v or Ov2. Despite the very small value of thermal solubility of O in bcc Fe, both the O and v diffusion coefficient are very different from that in pure iron. Even for such a low amount of O in the alloy the diffusion coefficients differ strongly from those in perfect bcc Fe. The results of the present work have important consequences for planning and performing new experiments on O and v diffusion in dilute iron alloys. In particular, a very precise knowledge of the concentrations of O and v, as well as of other foreign atoms and traps such as dislocations is required.
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Wang, Xiaoshuang [Verfasser], Jürgen [Gutachter] Faßbender, and Karsten [Gutachter] Albe. "Multiscale modeling of oxygen and vacancy diffusion in dilute ferritic iron alloys / Xiaoshuang Wang ; Gutachter: Jürgen Faßbender, Karsten Albe." Dresden : Technische Universität Dresden, 2020. http://d-nb.info/1227311273/34.

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Lin, Hong-Ying. "Improving the optoelectronic property and photoactivity of nano-structured titanuim dioxide effect of particle size, oxygen vacancy, and nitrogen doping /." Access to citation, abstract and download form provided by ProQuest Information and Learning Company; downloadable PDF file, 1581 p, 2008. http://proquest.umi.com/pqdweb?did=1609302401&sid=2&Fmt=2&clientId=8331&RQT=309&VName=PQD.

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Thesis (Ph.D.)--University of Delaware, 2008.
Principal faculty advisors: Chin-Pao Huang, Dept. of Civil and Environmental Engineering, and S. Ismat Shah, Dept. of Materials Science Includes bibliographical references.
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Girdauskaite, Egle. "Thermodynamische und kinetische Untersuchungen zum Sauerstoffaustausch in perowskitischen Mischoxiden auf Basis von Ferriten und Cobaltiten." Doctoral thesis, Saechsische Landesbibliothek- Staats- und Universitaetsbibliothek Dresden, 2007. http://nbn-resolving.de/urn:nbn:de:swb:14-1195658113234-25483.

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Oxidkeramische Materialien sind zunehmend von praktischem Interesse für neue Technologien, die in Brennstoffzellen, Sensoren und Ionentransport-Membranen Anwendung finden. Einige dieser Oxide mit Perowskitstruktur ABO3 zeigen hohe Ionen- und Elektronenleitung, ausreichende chemische Stabilität sowie thermisch-mechanische Eigenschaften, wie sie für die Anwendung als Sauerstofftransportmembran benötigt werden. Oxidionentransport erfolgt über einen Oxidionen-Leerstellenmechanismus. Die charakteristische Schwierigkeit für die Anwendung solcher Materialien besteht aber darin, dass die gestellten Forderungen wie hoher Ionentransport und hohe Stabilität sich diametral gegenüberstehen. In dieser Arbeit wurde eine systematische Untersuchung der Beziehungen zwischen Zusammensetzung, Struktur und Stöchiometrie der ferritischer und cobaltitischer Mischoxide und den Transporteigenschaften sowie der thermischen Ausdehnung durchgeführt. Erstmalig wurden thermodynamische und kinetische Parameter von Reihen von Oxiden in einem weiten Bereich von Temperatur und Sauerstoffpartialdruck systematisch bestimmt. Aus den Ergebnissen konnten Empfehlungen gegeben werden für die Zusammensetzung von Perowskitoxiden, die zum Aufbau von Sauerstofftransportmembranen unter bestimmten pO2/T-Bedingungen geeignet sind.
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Iwata, Tatsuya. "Study on Resistive Switching Phenomenon in Metal Oxides for Nonvolatile Memory." 京都大学 (Kyoto University), 2014. http://hdl.handle.net/2433/188598.

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Peng, Yung-Kang. "Surface mapping of faceted metal oxides by chemical probe-assisted NMR for catalytic applications." Thesis, University of Oxford, 2017. https://ora.ox.ac.uk/objects/uuid:7b56021f-71fb-437b-8c6b-0569705ef68e.

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Semiconductive metal oxides are of great importance in environmental remediation and electronics because of their ability to generate charge carriers when excited with appropriate energy. The electronic structure, light absorption and charge transport properties have made the transition metal oxides an attractive material as photocatalyst. Recently, facet-engineering by morphology control has been intensively studied as an efficient approach to further enhance their photocatalytic performance. However, various processing steps and post-treatments used in the preparation of facet-engineered particles may generate different surface active sites which may affect their photocatalysis. Moreover, many traditional techniques (PL, EPR and XPS) used for materials characterization (oxygen vacancy, hydroxyl group, cation, etc.) are not truly surface specific but analyzing a range from surface few layers to bulk. Accordingly, they can only provide very limited information on chemical states of the surface active features and their distribution among facets, causing difficulties to unambiguously correlate facet-dependent results with activity. As a result, this often leads to different interpretations amongst researchers during the past decades. As the publications of titanium and zinc ranked top two among studies of first row of transition oxides in the past decades, this thesis will firstly review on the disagreements generated among researchers when they correlated the performance of ZnO and TiO2 with their facet activities based on traditional techniques. As there are shortcomings of these techniques in producing truly facet-dependent features, some results can be misleading and with no cross-literature comparison. To address these issues, we have developed a new technique "probe-molecule-assisted NMR" which allows a genuine differentiation of surface active sites from various facets. This surface-fingerprint technique has been demonstrated to provide both qualitative (chemical shift) and quantitative (peak intensity) information on the concentration and distribution of truly surface features among facets. In light of the new technique, this thesis will revisit the facet-dependent photocatalytic properties and shed light on these issues.
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Nishi, Yusuke. "Nonpolar Resistive Switching Based on Quantized Conductance in Transition Metal Oxides." Kyoto University, 2019. http://hdl.handle.net/2433/242544.

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Umeda, Yuji. "Rational design of dielectric oxide materials through first-principles calculations and machine-learning technique." Doctoral thesis, Kyoto University, 2020. http://hdl.handle.net/2433/245844.

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京都大学
0048
新制・課程博士
博士(工学)
甲第22159号
工博第4663号
新制||工||1727(附属図書館)
京都大学大学院工学研究科材料工学専攻
(主査)教授 田中 功, 教授 中村 裕之, 教授 邑瀬 邦明
学位規則第4条第1項該当
Doctor of Philosophy (Engineering)
Kyoto University
DFAM
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Books on the topic "Oxygen vacancy"

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Karapetrova, Euguenia. Factors influencing the crystallization, phase and oxygen vacancy concentration in zirconia. 1997.

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Book chapters on the topic "Oxygen vacancy"

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Fowler, W. Beall, Jayanta K. Rudra, Arthur H. Edwards, and Frank J. Feigl. "Theory of Oxygen-Vacancy Defects in Silicon Dioxide." In The Physics and Technology of Amorphous SiO2, 107–12. Boston, MA: Springer US, 1988. http://dx.doi.org/10.1007/978-1-4613-1031-0_12.

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Fujinami, M. "Interaction of Positrons with Vacancy-Oxygen Complexes and Oxygen Clusters in Silicon." In Early Stages of Oxygen Precipitation in Silicon, 337–44. Dordrecht: Springer Netherlands, 1996. http://dx.doi.org/10.1007/978-94-009-0355-5_20.

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Zvanut, M. E., F. J. Feigl, W. B. Fowler, and J. K. Rudra. "Observation of the Neutral Oxygen Vacancy in Silicon Dioxide." In The Physics and Technology of Amorphous SiO2, 187–92. Boston, MA: Springer US, 1988. http://dx.doi.org/10.1007/978-1-4613-1031-0_24.

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Jaipal, Methary, and Abhijit Chatterjee. "Spatial Distribution of Oxygen-Vacancy Pairs and Oxygen Movement in Yttria-Stabilized Zirconia." In Advances in Energy Research, Vol. 1, 209–18. Singapore: Springer Singapore, 2020. http://dx.doi.org/10.1007/978-981-15-2666-4_21.

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Janczarek, Marcin, Maya Endo-Kimura, Tharishinny Raja-Mogan, and Ewa Kowalska. "The Role of Oxygen Vacancy and Other Defects for Activity Enhancement." In Green Chemistry and Sustainable Technology, 337–55. Cham: Springer International Publishing, 2021. http://dx.doi.org/10.1007/978-3-030-77371-7_12.

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Herman, Frank, Robert V. Kasowski, and William Y. Hsu. "Theoretical Model for Oxygen Vacancy Dependence of Tc in the YBa2Cu3Ox System (6 ≤ × ≤ 8)." In Novel Superconductivity, 521–29. Boston, MA: Springer US, 1987. http://dx.doi.org/10.1007/978-1-4613-1937-5_62.

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Strzalkowski, Ireneusz. "Electron and Hole Traps Related to A π-Bonded Oxygen Vacancy Center in SiO2." In The Physics and Technology of Amorphous SiO2, 103–6. Boston, MA: Springer US, 1988. http://dx.doi.org/10.1007/978-1-4613-1031-0_11.

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HENDERSON, T. M., J. C. GREER, G. BERSUKER, A. KORKIN, and R. J. BARTLETT. "EFFECT OF CHEMICAL ENVIRONMENT AND STRAIN ON OXYGEN VACANCY FORMATION ENERGIES AT SILICONSILICON OXIDE INTERFACES." In Defects in High-k Gate Dielectric Stacks, 373–83. Dordrecht: Springer Netherlands, 2006. http://dx.doi.org/10.1007/1-4020-4367-8_30.

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Liu, Min, Yuansen Hu, Jianpeng Shi, Yuanpu Cao, and Yu Gong. "Synthesis of High Ion Conductivity Cubic Garnet Li7La3Zr2O12 Solid Electrolyte by Controlling the 8a Oxygen Vacancy." In Proceedings of China SAE Congress 2020: Selected Papers, 1377–86. Singapore: Springer Singapore, 2022. http://dx.doi.org/10.1007/978-981-16-2090-4_88.

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Londos, Charalamos A., G. D. Antonaras, M. S. Potsidi, Andrzej Misiuk, and Valentin V. Emtsev. "The Effect of Thermal Treatments on the Annealing Behaviour of Oxygen-Vacancy Complexes in Irradiated Carbon-Doped Silicon." In Solid State Phenomena, 205–10. Stafa: Trans Tech Publications Ltd., 2005. http://dx.doi.org/10.4028/3-908451-13-2.205.

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Conference papers on the topic "Oxygen vacancy"

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Brown, Dock. "Oxygen vacancy migration in MLCCS." In 2018 Pan Pacific Microelectronics Symposium (Pan Pacific). IEEE, 2018. http://dx.doi.org/10.23919/panpacific.2018.8319004.

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Halisdemir, U., F. Schleicher, D. J. Kim, B. Taudul, D. Lacour, W. S. Choi, M. Gallart, et al. "Oxygen-vacancy driven tunnelling spintronics across MgO." In SPIE Nanoscience + Engineering, edited by Henri-Jean Drouhin, Jean-Eric Wegrowe, and Manijeh Razeghi. SPIE, 2016. http://dx.doi.org/10.1117/12.2239017.

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Perevalov, T. V., and V. A. Gritsenko. "Electronic structure of oxygen vacancy and poly-vacancy in α- and γ-Al2O3." In 2010 27th International Conference on Microelectronics Proceedings. IEEE, 2010. http://dx.doi.org/10.1109/miel.2010.5490517.

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Fukushima, Hiroaki, Tomomi Kozu, Hiromi Shima, Hiroshi Funakubo, Hiroshi Uchida, Takashi Katoda, and Ken Nishida. "Evaluation of oxygen vacancy in ZnO using Raman spectroscopy." In 2015 Joint IEEE International Symposium on the Applications of Ferroelectric (ISAF), International Symposium on Integrated Functionalities (ISIF), and Piezoelectric Force Microscopy Workshop (PFM). IEEE, 2015. http://dx.doi.org/10.1109/isaf.2015.7172660.

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Kanrar, Buddhadev, Nimai Pathak, C. L. Prajapat, P. K. Mishra, R. M. Kadam, N. L. Misra, and G. Ravikumar. "Oxygen vacancy induced magnetism in (Th0.9Bi0.1)O1.95 solid solution." In DAE SOLID STATE PHYSICS SYMPOSIUM 2015. Author(s), 2016. http://dx.doi.org/10.1063/1.4948116.

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O’Sullivan, B. J., R. Mitsuhashi, G. Pourtois, V. S. Chang, C. Adelmann, T. Schram, L. A. Ragnarsson, et al. "Oxygen-Vacancy-Induced Vt shift in La-containing Devices." In 2007 International Conference on Solid State Devices and Materials. The Japan Society of Applied Physics, 2007. http://dx.doi.org/10.7567/ssdm.2007.p-1-25l.

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Zhao, Qiang, Zheng Zhang, Yang Li, and Xiaoping Ouyang. "Diffusion of Fission Gas in Uranium Dioxide: A First-Principles Study." In 2017 25th International Conference on Nuclear Engineering. American Society of Mechanical Engineers, 2017. http://dx.doi.org/10.1115/icone25-67365.

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Uranium dioxide (UO2) is the typical fuel that is used in nuclear fission reactor, fission gas are produced during and after the reactor operation, and the fission gas have a significant impact on the performance of UO2 in reactor. In this paper, we investigated the effects of the fission gas on the performance of UO2 by using the first-principles calculation method based on the density functional theory. The results are that, the volume of UO2 increased when there is a fission gas atom enter in UO2 supercell; fission gas prefer to occupy the octahedral interstitial site over the uranium vacancy site and the oxygen vacancy site, and the oxygen vacancy site is the most difficult occupied site due to the formation of an oxygen vacancy is more difficult than that of the uranium vacancy; our results of the UO2 elastic constants are in good agreement with other simulation results and experimental data, and the fission gas atoms make the ductility of UO2 decreased. Our works may shed some light on the development of the UO2 fuel and the spent fuel reprocessing.
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Knez, Daniel. "Structure of Periodic Oxygen Vacancy Arrays in Anatase Thin Films." In European Microscopy Congress 2020. Royal Microscopical Society, 2021. http://dx.doi.org/10.22443/rms.emc2020.466.

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Shimomura, Koichiro, Ryosuke Kadono, Akihiro Koda, Kusuo Nishiyama, Wataru Higemoto, and Takashi U. Ito. "µSR Study on Isolated Hydrogen and Oxygen Vacancy in SrTiO3." In Proceedings of the International Symposium on Science Explored by Ultra Slow Muon (USM2013). Journal of the Physical Society of Japan, 2014. http://dx.doi.org/10.7566/jpscp.2.010308.

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Resnick, Alex, Katherine Mitchell, Jungkyu Park, Hannah Maier, Eduardo B. Farfán, Tien Yee, and Christian Velasquez. "Thermal Transport in Defective Actinide Oxides." In ASME 2018 International Mechanical Engineering Congress and Exposition. American Society of Mechanical Engineers, 2018. http://dx.doi.org/10.1115/imece2018-87605.

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The present study employs a molecular dynamics simulation to explore thermal transport in various oxide nuclear fuels with defects such as uranium oxide and plutonium oxide. In particular, the effect of vacancy and substitutional defects on the thermal transport in actinide oxides are investigated. It is found that the thermal conductivities of these oxide nuclear fuels are significantly reduced by the presence of vacancy defects. In spite of their small size, oxygen vacancy is shown to alter the thermal conductivity of oxide fuels greatly; 0.1% oxygen vacancy reduces the thermal conductivity of plutonium dioxide by more than 10% when the number of unit cell in length is 100. It was shown that the missing of larger atoms alters the thermal conductivity of actinide oxides more significantly. For the case of uranium dioxide, 0.1% uranium vacancies decrease the thermal conductivity by 24.6% while the same concentration of oxygen vacancies decreases the thermal conductivity of uranium dioxide by 19.4%. However, the uranium substitutional defects are shown to have a minimal effect on the thermal conductivity of plutonium dioxide because of the small change in the atomic mass.
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