Relevant bibliographies by topics / Oxygen vacancy

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  1. Journal articles
  2. Dissertations / Theses
  3. Books
  4. Book chapters
  5. Conference papers

Academic literature on the topic 'Oxygen vacancy'

Author: Grafiati
Published: 4 June 2021
Last updated: 25 July 2025

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Journal articles on the topic "Oxygen vacancy"

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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 (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
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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 (2020): 14945–62. http://dx.doi.org/10.1021/acs.jpcc.0c00974.

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Gebauer, Ralph. "Oxygen Vacancies in Zirconia and Their Migration: The Role of Hubbard-U Parameters in Density Functional Theory." Crystals 13, no. 4 (2023): 574. http://dx.doi.org/10.3390/cryst13040574.

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Cubic zirconia (c-ZrO2) is studied using Density Functional Theory with Hubbard-U corrections (DFT+U). It is shown that the determination of the U-parameters from first principles leads to values for U(Zr-4d) and U(O-2p) which are very different from standard choices. The calculated band gap with these values for U closely matches the experimental gap. Oxygen vacancies are studied using this approach, and it is found that it is possible to closely reproduce the vacancy migration energies calculated with a hybrid functional. The oxygen vacancy is associated with two excess electrons which local
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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 (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 v
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Mastrikov, Yuri A., Denis Gryaznov, Guntars Zvejnieks, Maksim N. Sokolov, Māra Putniņa та Eugene A. Kotomin. "Sr Doping and Oxygen Vacancy Formation in La1−xSrxScO3−δ Solid Solutions: Computational Modelling". Crystals 12, № 9 (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 cent
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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 (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 wi
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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 (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
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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 (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 d
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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 under
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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 exami
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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
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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 vacan
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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.<br>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 Fo
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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 par
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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<br>0048<br>新制・課程博士<br>博士(工学)<br>甲第22159号<br>工博第4663号<br>新制||工||1727(附属図書館)<br>京都大学大学院工学研究科材料工学専攻<br>(主査)教授 田中 功, 教授 中村 裕之, 教授 邑瀬 邦明<br>学位規則第4条第1項該当<br>Doctor of Philosophy (Engineering)<br>Kyoto University<br>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. 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. 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. 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. 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. 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. 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. 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. Springer Netherlands, 2006. http://dx.doi.org/10.1007/1-4020-4367-8_30.

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Huo, Zhibao. "Boosting In-Situ Hydrodeoxygenation of Fatty Acids Over a Fine and Oxygen-Vacancy-Rich NiAl Catalyst." In Diverse Hydrogen Sources for Biomass-derivatives Conversion. Springer Nature Singapore, 2023. http://dx.doi.org/10.1007/978-981-99-1673-3_4.

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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. Springer Singapore, 2022. http://dx.doi.org/10.1007/978-981-16-2090-4_88.

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Conference papers on the topic "Oxygen vacancy"

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Liu, Jinhao, Xuepei Wang, Maokun Wu, et al. "Oxygen Vacancy-Zr Content Synergy for Morphotropic Phase Boundary Towards High-Performance DRAM Applications." In 2025 9th IEEE Electron Devices Technology & Manufacturing Conference (EDTM). IEEE, 2025. https://doi.org/10.1109/edtm61175.2025.11041076.

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Simonen, E. P., L. E. Thomas, and S. M. Bruemmer. "Diffusion Kinetic Issues During Intergranular Corrosion of Ni-Base Alloys." In CORROSION 2000. NACE International, 2000. https://doi.org/10.5006/c2000-00226.

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Abstract Exposure of Ni-base alloys to hot water results in corrosion reactions at advancing stress corrosion cracks and intergranular degradation at crack walls. The morphology of the corrosion is characterized by very narrow widths of oxides for long distances along grain boundaries. Of particular interest is that this response of alloys occurs during exposure to non-oxidizing water at 330°C. The mechanisms by which oxidation reactions occur in these tight restricted pathways have critical impact on stress corrosion cracking susceptibility. In the present paper, diffusion kinetic analyses ar
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Feng, Y., H. Yang, and D. Yue. "Research on energy storage performance of polycarbonate-based composite dielectric with oxygen-vacancy inorganic deposition layers." In 2024 IEEE International Conference on Plasma Science (ICOPS). IEEE, 2024. http://dx.doi.org/10.1109/icops58192.2024.10626601.

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Yadav, Gunjan, Lucía Pérez Ramírez, Nick Barrett, et al. "Polarization-Dependent Oxygen, Vacancy Distribution in Ferroelectric Hf0.5 Zr0.5 O2 Capacitors." In 2024 22nd Non-Volatile Memory Technology Symposium (NVMTS). IEEE, 2024. https://doi.org/10.1109/ieeeconf63530.2024.10830905.

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Iwashiro, Hiroya, Haruo Sudo, Ken Hayakawa, Eiji Kamiyama, and Koji Sueoka. "First-Principles Analysis for Estimating the Gettering Effects of Vacancy-Oxygen Complexes (VOX) in Rapid Thermal Processing Wafers." In 2024 International Symposium on Semiconductor Manufacturing (ISSM). IEEE, 2024. https://doi.org/10.1109/issm64832.2024.10875028.

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Cui, Boyao, Maokun Wu, Sheng Ye, et al. "Unveiling the Role of Oxygen Vacancy Inhomogeneity in Enhancing the Reliability of Ferroelectric HfO2 ZrO2 Superlattice Structures." In 2025 9th IEEE Electron Devices Technology & Manufacturing Conference (EDTM). IEEE, 2025. https://doi.org/10.1109/edtm61175.2025.11041366.

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Shao, Xianzhou, Hao Xu, Saifei Dai, et al. "Direct Evidence of Oxygen Vacancy Generation in Whole Gate Stacks Through Multiple Electrical and Atomic-Scale Physical Methods as the Cause of Endurance Failure in FeFETs." In 2025 9th IEEE Electron Devices Technology & Manufacturing Conference (EDTM). IEEE, 2025. https://doi.org/10.1109/edtm61175.2025.11040988.

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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, 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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