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1

Carter, C. Barry, and Lisa A. Tietz. "Interfaces in high-Tc superconducting oxides." Proceedings, annual meeting, Electron Microscopy Society of America 47 (August 6, 1989): 178–79. http://dx.doi.org/10.1017/s0424820100152860.

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Interfaces in high-Tc superconducting oxides are influential during both the processing of bulk materials and the growth of thin epitactically aligned layers. In the first case, the formation of the superconducting phase involves the movement of phase boundaries during the solid-state reaction, while in the second, the phase boundary is formed as the superconducting material grows on the single-crystal substrate. Having formed the superconducting material, the superconducting phase will, in general, contain a large number of grain boundaries varying from the simple twin boundaries which can be
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2

Yoshida, Hidehiro, Koji Morita, Byung Nam Kim, et al. "High Temperature Plastic Flow and Ductility in Polycrystalline Oxide Ceramics: Doping Effect and Related Phenomena." Advances in Science and Technology 45 (October 2006): 1620–25. http://dx.doi.org/10.4028/www.scientific.net/ast.45.1620.

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High temperature creep and superplastic flow in high-purity oxide ceramics such as alumina and tetragonal zirconia polycrystals is very sensitive to a small amount of doping by various oxides. High-resolution transmission electron microscopy and an energy-dispersive X-ray spectroscopy analysis revealed that grain boundaries in high-purity oxide ceramics are free from amorphous phase, and that the doped cations tend to segregate along the grain boundaries. Since the high temperature plastic flow in oxide ceramics takes place mainly by grain boundary matter transport by atomic diffusion, the gra
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Nguyen, Viet Huong, Ulrich Gottlieb, Anthony Valla, Delfina Muñoz, Daniel Bellet, and David Muñoz-Rojas. "Electron tunneling through grain boundaries in transparent conductive oxides and implications for electrical conductivity: the case of ZnO:Al thin films." Materials Horizons 5, no. 4 (2018): 715–26. http://dx.doi.org/10.1039/c8mh00402a.

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4

OSHIO, T., Y. SAKAI, and S. EHARA. "STM STUDY OF POLYCRYSTALLINE COPPER." Modern Physics Letters B 04, no. 22 (1990): 1411–14. http://dx.doi.org/10.1142/s021798499000177x.

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Grain boundaries and their electric potential were studied in connection with the electric conduction in polycrystalline copper using a scanning tunneling microscope (STM). It was found that the grain boundaries consist mainly of cuprous oxide ( Cu 2 O ) and electric potential barriers are formed at most grain boundaries.
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5

Moriyama, Takumi, Sohta Hida, Takahiro Yamasaki, Takahisa Ohno, Satoru Kishida, and Kentaro Kinoshita. "Experimental and Theoretical Studies of Resistive Switching in Grain Boundaries of Polycrystalline Transition Metal Oxide Film." MRS Advances 2, no. 4 (2017): 229–34. http://dx.doi.org/10.1557/adv.2017.7.

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ABSTRACTPractical use of Resistive Random Access Memory (ReRAM) depends on thorough understanding of the resistive switching (RS) mechanism in polycrystalline metal oxide films. Based on experimental and theoretical results of NiO based ReRAM, we have proposed a grain surface tiling model, in which grain surfaces (i.e. grain boundaries) are composed by insulating and conductive micro surface structures. This paper reports the adequacy of our model to the NiO based ReRAM and universality of surface electronic properties in metal oxides of NiO, CoO and MgO. Experimental results of RS operating m
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6

Welsh, Shery L., Monica Kapoor, Olivia D. Underwood, Richard L. Martens, Gregory B. Thompson, and Jeffrey L. Evans. "Influence of Grain Boundary Character and Annealing Time on Segregation in Commercially Pure Nickel." Journal of Materials 2016 (February 16, 2016): 1–15. http://dx.doi.org/10.1155/2016/4597271.

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Commercially pure nickel (Ni) was thermomechanically processed to promote an increase in Σ3 special grain boundaries. Engineering the character and chemistry of Σ3 grain boundaries in polycrystalline materials can help in improving physical, chemical, and mechanical properties leading to improved performance. Type-specific grain boundaries (special and random) were characterized using electron backscatter diffraction and the segregation behavior of elements such as Si, Al, C, O, P, Cr, Mg, Mn, B, and Fe, at the atomic level, was studied as a function of grain boundary character using atom prob
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7

Vahidi, Hasti, Komal Syed, Huiming Guo, et al. "A Review of Grain Boundary and Heterointerface Characterization in Polycrystalline Oxides by (Scanning) Transmission Electron Microscopy." Crystals 11, no. 8 (2021): 878. http://dx.doi.org/10.3390/cryst11080878.

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Interfaces such as grain boundaries (GBs) and heterointerfaces (HIs) are known to play a crucial role in structure-property relationships of polycrystalline materials. While several methods have been used to characterize such interfaces, advanced transmission electron microscopy (TEM) and scanning TEM (STEM) techniques have proven to be uniquely powerful tools, enabling quantification of atomic structure, electronic structure, chemistry, order/disorder, and point defect distributions below the atomic scale. This review focuses on recent progress in characterization of polycrystalline oxide int
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8

Zaborac, J. A., J. P. Buban, H. O. Moltaji, S. Stemmer та N. D. Browning. "Cation Coordination At Σ Grain Boundaries in TiO2 and SrTiO3, and its Effect on the Local Electronic Properties". Microscopy and Microanalysis 5, S2 (1999): 792–93. http://dx.doi.org/10.1017/s1431927600017281.

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Grain boundaries have long been known to have a dominant effect on the electronic properties of polycrystalline materials. In the case of electroceramic oxides, the thermodynamics of defect formation (vacancies or interstitials, cations or anions) are usually invoked to predict the presence of a space charge potential at the grain boundaries. The relative energetics for the formation of each type of defect determines the size and sign of this potential barrier and thus, the effect that boundaries have on the overall electronic properties of the materials. However, a limitation to this continuu
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9

Rathore, Divya, Chenxi Geng, Nafiseh Zaker, et al. "Tungsten Infused Grain Boundaries Enabling Universal Performance Enhancement of Co-Free Ni-Rich Cathode Materials." Journal of The Electrochemical Society 168, no. 12 (2021): 120514. http://dx.doi.org/10.1149/1945-7111/ac3c26.

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Ni-rich cathode materials suffer from poor capacity retention due to micro-cracking and interfacial reactivity with electrolyte. Addition of tungsten (W) to some Ni-rich materials can improve capacity retention. Here, a WO3 surface coating is applied on Ni-rich hydroxide precursors before heating with lithium hydroxide. After heating in oxygen, Ni-rich materials with any of the commonly used dopants (magnesium, aluminum, manganese, etc.) show a “universal” improvement in capacity retention. Experimental characterization and theoretical modelling showed W was concentrated in the grain boundarie
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10

Wang, Xiao, and Alfred Ludwig. "Recent Developments in Small-Scale Shape Memory Oxides." Shape Memory and Superelasticity 6, no. 3 (2020): 287–300. http://dx.doi.org/10.1007/s40830-020-00299-7.

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Abstract This review presents an overview of the developments in small-scale shape memory materials: from alloys to oxides and ceramics. Shape memory oxides such as zirconia, different ferroelectric perovskites and VO2-based materials have favorable characteristics of high strength, high operating temperature and chemical resistance, which make this class of shape memory materials interesting for special applications, e.g., in harsh environments or at the nanoscale. Because of the constraint and mismatch stress from neighboring grains in polycrystalline/bulk oxides, the transformation strain o
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11

Cho, Yong S., David T. Hoelzer, Vernon L. Burdick, and Vasantha R. W. Amarakoon. "Grain boundaries and growth kinetics of polycrystalline ferrimagnetic oxides with chemical additives." Journal of Applied Physics 85, no. 8 (1999): 5220–22. http://dx.doi.org/10.1063/1.369949.

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12

Prabhumirashi, Pradyumna L., Kevin D. Johnson, and Vinayak P. Dravid. "Predictive Structure-Property Correlations for SrtiO3 Grain Boundaries." Microscopy and Microanalysis 7, S2 (2001): 292–93. http://dx.doi.org/10.1017/s1431927600027537.

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In polycrystalline materials the trapping of charge at interfaces has a decisive influence on the electrical transport properties through the formation of electrostatic potential barriers. This can either be an intrinsic phenomenon or can be related to impurity segregation leading to complex defect centers. This plays a key role in technologically important systems, especially those having electrically active interfaces, e.g.,p-n junctions in semiconductors and grain boundaries in electroceramics.Electroceramic oxides such as ZnO and SrTiO3 are common systems that exhibit the tendency of curre
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13

Li, Yuanjiao, Janine Mauzeroll, and Alban Morel. "Resolving the Dependence of Aluminum Alloy Corrosion on Grain Orientation by Scanning Electrochemical Cell Microscopy." ECS Meeting Abstracts MA2023-02, no. 14 (2023): 1150. http://dx.doi.org/10.1149/ma2023-02141150mtgabs.

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The study of grain-dependent corrosion behaviors of practical polycrystalline metals remains challenging due to the influences of other microstructural features, such as intermetallic particles and grain boundaries. In this work, we employed the oil-immersed scanning electrochemical cell microscopy (SECCM) to investigate the effect of grain orientations of a practical aluminum alloy AA7075-T73 on the surface electrochemical behaviors. Thousands of spatially resolved microscopic potentiodynamic polarization (PDP) measurements were performed, allowing the extraction of information only from grai
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14

Shen, Xiao, Yevgeniy S. Puzyrev, and Sokrates T. Pantelides. "Vacancy breathing by grain boundaries—a mechanism of memristive switching in polycrystalline oxides." MRS Communications 3, no. 3 (2013): 167–70. http://dx.doi.org/10.1557/mrc.2013.32.

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15

Lee, Ming Kwei, Chih Feng Yen, Tsung Hsiang Shih, et al. "Electrical Characteristics of Fluorine Passivated MOCVD-TiO2 Film on (NH4)2Sx Treated GaAs." Key Engineering Materials 368-372 (February 2008): 232–34. http://dx.doi.org/10.4028/www.scientific.net/kem.368-372.232.

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The high Dit is the major problem of III-V compound semiconductor MOSFET, which causes the pinning of the surface Fermi level near the middle of the energy gap. The GaAs with (NH4)2Sx treatment (S-GaAs) can remove the native oxides on GaAs and prevent it from oxidizing. The electrical characteristics of fluorinated polycrystalline TiO2 films deposited on p-type(100) S-GaAs were investigated. The fluorine from liquid phase deposition solution can passivate the grain boundary of polycrystalline TiO2 prepared by MOCVD. The leakage current through the grain boundaries was suppressed. The leakage c
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16

Merkle, L., and L. J. Thompson. "Atomic Structure of [110] Tilt Grain Boundaries in FCC Materials." Microscopy and Microanalysis 3, S2 (1997): 675–76. http://dx.doi.org/10.1017/s1431927600010266.

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High-resolution electron microscopy (HREM) has been used to study the atomic-scale structure and localized relaxations at grain boundaries (GBs) in Au, Al, and MgO. The [110] tilt GBs play an important role in polycrystalline fee metals since among all of the possible GB geometries this series of misorientations as a whole contains the lowest energies, including among others the two lowest energy GBs, the (111) and (113) twins. Therefore, studies of the atomic-scale structure of [110] tilt GBs in fee metals and systematic investigations of their dependence on misorientation and GB plane is of
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17

Kizuka, T., M. Iijima, and N. Tanaka. "Time-resolved high-resolution electron microscopy of grain migration process in MgO films." Proceedings, annual meeting, Electron Microscopy Society of America 54 (August 11, 1996): 674–75. http://dx.doi.org/10.1017/s0424820100165835.

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High-resolution electron microscopy (HREM) has been employed intensively to analyze the atomic structures of grain boundaries and interfaces having two dimensional structures inside polycrystalline and composite materials. Furthermore time-resolved HREM (TRHREM) is required to analyze the behavior of grain boundaries and interfaces at atomic scale. The grain boundary migration, which is a typical grain boundary behavior, is a fundamental process relating to structural stability of polycrystalline materials. The mechanism of the migration has been still unknown.In the present study, the variati
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18

Seo, Han Gil, Thomas Defferriere, and Harry L. Tuller. "(Invited) Optically and Chemically Modulated Oxygen Transport across Interfaces." ECS Meeting Abstracts MA2023-02, no. 46 (2023): 2221. http://dx.doi.org/10.1149/ma2023-02462221mtgabs.

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Materials that conduct oxygen are central to many technologies that promise more highly efficient chemical to electrical and electrical to chemical energy conversion, as exemplified by solid oxide fuel and electrolysis cells (SOFC/SOEC), permeation membranes for partial oxidation of hydrocarbons and solar thermal driven chemical conversions. We begin by describing recent insights achieved in controlling the oxygen reduction reaction (ORR) on mixed ionic electronic conductors (MIEC). We have been able to demonstrate the ability to reversibly depress or enhance the oxygen exchange reaction at MI
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19

Spinella, C., F. Benyaïch, A. Cacciato, E. Rimini, G. Fallico, and P. Ward. "Role of grain boundaries in the epitaxial realignment of undoped and As-doped polycrystalline silicon films." Journal of Materials Research 8, no. 10 (1993): 2608–12. http://dx.doi.org/10.1557/jmr.1993.2608.

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The early stages of the thermally induced epitaxial realignment of undoped and As-doped polycrystalline Si films deposited onto crystalline Si substrates were monitored by transmission electron microscopy. Under the effect of the heat treatment, the native oxide film at the poly-Si/c-Si interface begins to agglomerate into spherical beads. The grain boundary terminations at the interface are the preferred sites for the triggering of the realignment transformation which starts by the formation of epitaxial protuberances at these sites. This feature, in conjunction with the microstructure of the
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20

Lin, Feng. "(Battery Division Early Career Award Sponsored by Neware Technology Limited) Design, Synthesis, and Characterization of Cathode Microstructures in Lithium Batteries." ECS Meeting Abstracts MA2022-02, no. 3 (2022): 210. http://dx.doi.org/10.1149/ma2022-023210mtgabs.

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The propagation of redox reactions governs the electrochemical properties of battery materials and their critical performance metrics in battery cells. The recent research progress, especially aided by advanced analytical techniques, has revealed that incomplete and heterogeneous redox reactions prevail in many electrode materials. Advanced high-capacity cathode materials are mostly polycrystalline materials that exhibit complex charge distribution (the valence state distribution of the redox-active cations) due to the presence of numerous constituting grains and grain boundaries. The redox re
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21

Babcock, Susan E. "High-Temperature Superconductors from the Grain Boundary Perspective." MRS Bulletin 17, no. 8 (1992): 20–26. http://dx.doi.org/10.1557/s0883769400041816.

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The high-transition-temperature superconductors (HTS) present a number of challenging materials science problems whose solutions must precede their use in applications. This article offers a view on our collective progress toward resolution of one central HTS issue, the “weak-link” character of high-angle grain boundaries.Why Are HTS Grain Boundaries of Such Interest?The properties of high-angle grain boundaries control the macroscopic electromagnetic character of all superconducting copper oxides that are produced in polycrystalline form. In particular, grain boundaries limit the transport cr
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22

Tietz, L. A., C. B. Carter, D. K. Lathrop, S. E. Russek, and R. A. Buhrman. "Special grain boundaries in YBa2Cu3O7-x." Proceedings, annual meeting, Electron Microscopy Society of America 46 (1988): 870–71. http://dx.doi.org/10.1017/s0424820100106417.

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Much attention has recently been paid to the characterization of twin boundaries in YBa2Cu3O7-x (YBCO). However, in polycrystalline samples other high-angle grain boundaries may have a much more significant effect on, not only the superconducting behavior, but also the chemical and mechanical stability of the material. In the present study, attention has therefore also been focussed on several types of low-angle and high-angle grain boundaries. Such boundaries are frequently found in thin films of this material which are grown on {001}-oriented, single-crystal yttria-stabilized zirconia (YSZ)
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23

Moriyama, Takumi, Takahiro Yamasaki, Takahisa Ohno, Satoru Kishida, and Kentaro Kinoshita. "Formation Mechanism of Conducting Path in Resistive Random Access Memory by First Principles Calculation Using Practical Model Based on Experimental Results." MRS Advances 1, no. 49 (2016): 3367–72. http://dx.doi.org/10.1557/adv.2016.461.

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ABSTRACTFor practical use of Resistive Random Access Memory (ReRAM), understanding resistive switching mechanism in transition metal oxides (TMO) is important. Some papers predict its mechanism by using first principles calculation; for example, TMO become conductive by introducing oxygen vacancy in bulk single crystalline TMO. However, most of ReRAM samples have polycrystalline structures. In this paper, we introduced a periodic slab model to depict grain boundary and calculated the surface energy and density of states for surfaces of NiO with various orientations using first-principles calcu
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Kizuka, T., and N. Tanaka. "Time-resolved high-resolution electron microscopy of structural transformation in nanocrystalline ZnO films." Proceedings, annual meeting, Electron Microscopy Society of America 54 (August 11, 1996): 978–79. http://dx.doi.org/10.1017/s0424820100167354.

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Mechanical properties of polycrystalline materials become anomalous when the grain size and grain boundary length decrease to nanometer scale. For example, ductility and toughness increase significantly in nanometer-grained ceramics (nanocrystalline ceramics). Ductility increases due to appearance of fine-grained-superplastic deformation. Grain boundary migration and interface migration are fundamental processes of the superplastic deformation. Structural transformation of fine grains is a factor which limits the toughness in polycrystalline ceramics because the transformation relaxes internal
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Yen, H., E. P. Kvam, R. Bashir, S. Venkatesan, and G. W. Neudeck. "Interface morphology of thermal oxide grown on polycrystalline silicon by different processes." Proceedings, annual meeting, Electron Microscopy Society of America 50, no. 2 (1992): 1396–97. http://dx.doi.org/10.1017/s0424820100131619.

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Polycrystalline silicon, when highly doped, is commonly used in microelectronics applications such as gates and interconnects. The packing density of integrated circuits can be enhanced by fabricating multilevel polycrystalline silicon films separated by insulating SiO2 layers. It has been found that device performance and electrical properties are strongly affected by the interface morphology between polycrystalline silicon and SiO2. As a thermal oxide layer is grown, the poly silicon is consumed, and there is a volume expansion of the oxide relative to the atomic silicon. Roughness at the po
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Hou, Ming-Dong, Xiang-Wen Zhou, Malin Liu, and Bing Liu. "Molecular Dynamics Simulation of High Temperature Mechanical Properties of Nano-Polycrystalline Beryllium Oxide and Relevant Experimental Verification." Energies 16, no. 13 (2023): 4927. http://dx.doi.org/10.3390/en16134927.

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This article investigated the deformation behavior of nano-polycrystalline beryllium oxide under tensile and compressive stress using the molecular dynamics simulation method. Both the tensile and compressive test results indicate that beryllium oxide breaks mainly along grain boundaries. At low temperature, there is little internal deformation of beryllium oxide grains. When the temperature is above 1473 K, the internal deformation of beryllium oxide grains also occurs, and the phenomenon becomes more obvious with the increase in temperature. This deformation within the grain should be plasti
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27

Idczak, Rafał, Karolina Idczak, and Robert Konieczny. "Corrosion of Polycrystalline Fe-Si Alloys Studied by TMS, CEMS, and XPS." Corrosion 74, no. 6 (2018): 623–34. http://dx.doi.org/10.5006/2676.

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The high-temperature corrosion behavior of three polycrystalline Fe-Si alloys containing approximately 4, 5, and 10 at% Si was studied using transmission Mössbauer spectroscopy (TMS), conversion electron Mössbauer spectroscopy (CEMS), and x-ray photoelectron spectroscopy (XPS). The XPS measurements reveal the strong segregation process of silicon atoms to the surface. Moreover, the obtained XPS results suggest that the presence of adsorbed oxygen on the Fe-Si surface effectively enhances the silicon segregation process. On the other hand, the obtained TMS and CEMS spectra show that even 10% of
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Su, Yulong, Zhibin He, Ruizheng Jiang, and Jundong Zhang. "Observation of Linear Magnetoresistance in MoO2." Nanomaterials 14, no. 11 (2024): 915. http://dx.doi.org/10.3390/nano14110915.

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Magnetoresistance, the change in resistance with applied magnetic fields, is crucial to the magnetic sensor technology. Linear magnetoresistance has been intensively studied in semimetals and semiconductors. However, the air-stable oxides with a large linear magnetoresistance are highly desirable but remain to be fully explored. In this paper, we report the direct observation of linear magnetoresistance in polycrystalline MoO2 without any sign of saturation up to 7 T under 50 K. Interestingly, the linear magnetoresistance reaches as large as 1500% under 7 T at 2 K. The linear field dependence
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Kim, Sang-il, Jiwoo An, Woo-Jae Lee, et al. "Effect of ZnO and SnO2 Nanolayers at Grain Boundaries on Thermoelectric Properties of Polycrystalline Skutterudites." Nanomaterials 10, no. 11 (2020): 2270. http://dx.doi.org/10.3390/nano10112270.

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Nanostructuring is considered one of the key approaches to achieve highly efficient thermoelectric alloys by reducing thermal conductivity. In this study, we investigated the effect of oxide (ZnO and SnO2) nanolayers at the grain boundaries of polycrystalline In0.2Yb0.1Co4Sb12 skutterudites on their electrical and thermal transport properties. Skutterudite powders with oxide nanolayers were prepared by atomic layer deposition method, and the number of deposition cycles was varied to control the coating thickness. The coated powders were consolidated by spark plasma sintering. With increasing n
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Brydson, Rik, Peter C. Twigg, Fiona Loughran, and Frank L. Riley. "Influence of CaO–SiO2 ratio on the chemistry of intergranular films in liquid-phase sintered alumina and implications for rate of erosive wear." Journal of Materials Research 16, no. 3 (2001): 652–65. http://dx.doi.org/10.1557/jmr.2001.0120.

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Polycrystalline aluminas sintered with 10 wt% additions of calcium oxide (CaO) and silica (SiO2) in varying molar ratios were fabricated via precipitation, calcination, and hot pressing. Alumina microstructures were analyzed by scanning electron microscopy in terms of their mean grain size, grain size distribution, and grain aspect ratios. High-resolution transmission electron microscopy (HRTEM) showed the presence of an amorphous intergranular glassy phase at two- and three-grain boundaries. The intergranular film width at two-grain boundaries, determined by HRTEM, appeared to vary with the [
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Lin, H., and D. P. Pope. "Slip traces caused by plastic deformation during recrystallization of thin metal sheets." Proceedings, annual meeting, Electron Microscopy Society of America 52 (1994): 620–21. http://dx.doi.org/10.1017/s0424820100170839.

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During a study of mechanical properties of recrystallized B-free Ni3Al single crystals, regularly spaced parallel traces within individual grains were discovered on the surfaces of thin recrystallized sheets, see Fig. 1. They appeared to be slip traces, but since we could not find similar observations in the literature, a series of experiments was performed to identify them. We will refer to them “traces”, because they contain some, if not all, of the properties of slip traces. A variety of techniques, including the Electron Backscattering Pattern (EBSP) method, was used to ascertain the compo
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Tian, Yingyi, Shuanhu Wang, Xiangyang Wei, Ruishu Yang, and Kexin Jin. "Anomalous Hall effect superimposed in polycrystalline SrRuO3 thick film." Applied Physics Letters 120, no. 14 (2022): 142404. http://dx.doi.org/10.1063/5.0085391.

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The electric, magnetic, and thermal properties of transition metal oxide films can be modulated by introducing polycrystalline at the macroscopic grain boundaries. Based on these points, in this work, we studied the two-channel anomalous Hall effect (AHE) in polycrystalline ferromagnetic SrRuO3 (SRO) films. The magnetic regions with different crystal directions have different coercivities, resulting in two opposite AHE channels in the polycrystalline SRO layer. However, single-crystal SRO films prepared under the same conditions are found to exhibit only one AHE. The superposition of the two A
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33

Marcus, Philippe, and Vincent Maurice. "Atomic level characterization in corrosion studies." Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences 375, no. 2098 (2017): 20160414. http://dx.doi.org/10.1098/rsta.2016.0414.

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Atomic level characterization brings fundamental insight into the mechanisms of self-protection against corrosion of metals and alloys by oxide passive films and into how localized corrosion is initiated on passivated metal surfaces. This is illustrated in this overview with selected data obtained at the subnanometre, i.e. atomic or molecular, scale and also at the nanometre scale on single-crystal copper, nickel, chromium and stainless steel surfaces passivated in well-controlled conditions and analysed in situ and/or ex situ by scanning tunnelling microscopy/spectroscopy and atomic force mic
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34

McKenna, Keith P., and Alexander L. Shluger. "Electron and hole trapping in polycrystalline metal oxide materials." Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences 467, no. 2131 (2011): 2043–53. http://dx.doi.org/10.1098/rspa.2010.0518.

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Electron and hole trapping by grain boundaries and dislocations in polycrystalline materials is important for wide ranging technological applications such as solar cells, microelectronics, photo-catalysts and rechargeable batteries. In this article, we first give an overview of the computational and methodological challenges involved in modelling such effects. This is followed by a discussion of two recent studies we have made on electron/hole trapping in wide gap insulators. The results suggest that such effects can be important for many applications which we discuss. These computationally de
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Solórzano, I. G., J. B. Vander Sande, K. K. Baek, and H. L. Tuller. "A high-resolution EM study of grain boundaries in Pr and Co-doped ZnO ceramics." Proceedings, annual meeting, Electron Microscopy Society of America 51 (August 1, 1993): 1150–51. http://dx.doi.org/10.1017/s0424820100151581.

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Metal oxide varistors are multijunction materials whose nonlinear current-voltage characteristics derive from the electrical activity of their grain boundary regions. The high degree of nonlinear-ity in polycrystalline ZnO has been attributed to the synergistic action of two types of cations added in sufficient concentrations: transition metals, such as Co and Mn which have ionic radii similar to that of the ZnO matrix, and dopants with large ionic radii, such as Bi and Pr which segregate at grain boundaries and usually form intergranular phases. The present investigation was undertaken with t
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Li, Hua Long, Jianlong Lin, and Jerzy A. Szpunar. "Software for Simulation of Oxidation Processes." Defect and Diffusion Forum 237-240 (April 2005): 189–94. http://dx.doi.org/10.4028/www.scientific.net/ddf.237-240.189.

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A methodology for discrete simulation has been developed that incorporates many structural characteristics of polycrystalline material properties, such as: texture, grain boundaries, microstructure, phase composition, chemical composition, stored energy, and residual stresses. The computer models that have been developed to study oxidation processes are based on a quantitative description of the oxide and substrate structure. That description allows for the simulation of the transport of metal and oxygen ions along interfaces and bulk portions of material and the formation of oxide structure.
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Defferriere, Thomas, Colin Gilgenbach, Matthias Müller, James F. Christian, James LeBeau, and Harry L. Tuller. "Ionic Conduction-Based Polycrystalline Oxide Radiation-Ionic Detection Effects." ECS Meeting Abstracts MA2024-02, no. 64 (2024): 4327. https://doi.org/10.1149/ma2024-02644327mtgabs.

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We recently demonstrated the ability to use photogenerated charge carriers to modulate the grain boundary resistance of a model polycrystalline oxygen solid electrolyte thin film (Gd-doped CeO2)[i]. These findings were inspired by the recognition that above bandgap light is well known to reduce band bending at interfaces by providing additional charge carriers which screen potential barriers. While our initial observations were limited to thin films due to the short absorption depths of above bandgap light, we then demonstrated that the same concept is applicable using gamma radiation, which i
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38

Zhang, Jingdan, Xiaolin Li, Yawei Lei, et al. "Effects of Alloying Elements on the Solution and Diffusion of Oxygen at Iron Grain Boundary Investigated by First-Principles Study." Metals 13, no. 4 (2023): 789. http://dx.doi.org/10.3390/met13040789.

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The effects of alloying elements (Si, Cr, Mo) on the solution and diffusion of oxygen (O) atoms at the grain boundary of iron (Fe) Σ5(310)/[001] are investigated by the simulations of ab initio density functional theory (DFT). It is found that Si, Mo and Cr prefer to segregate to the grain boundary, and further affect the solution and diffusion of O atoms at Fe grain boundaries. The segregated Cr promotes the solution of O, while Si and Mo inhibit the solution of O at the grain boundary. Meanwhile, Cr and Si accelerate the diffusion of O, and Mo retards the diffusion of O in the grain boundary
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39

Ou, Limin, Shengheng Nong, Ruoxi Yang, et al. "Multi-Role Surface Modification of Single-Crystalline Nickel-Rich Lithium Nickel Cobalt Manganese Oxides Cathodes with WO3 to Improve Performance for Lithium-Ion Batteries." Nanomaterials 12, no. 8 (2022): 1324. http://dx.doi.org/10.3390/nano12081324.

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Compared with the polycrystalline system, the single-crystalline ternary cathode material has better cycle stability because the only primary particles without grain boundaries effectively alleviate the formation of micro/nanocracks and retain better structural integrity. Therefore, it has received extensive research attention. There is no consistent result whether tungsten oxide acts as doping and/or coating from the surface modification of the polycrystalline system. Meanwhile, there is no report on the surface modification of the single-crystalline system by tungsten oxide. In this paper, m
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40

Lespiaux, Justine, Fabien Deprat, Jérémy Vives, et al. "Reduced Pressure – Chemical Vapor Deposition of Monocrystalline and Polycrystalline Si(:B) and SiGe(:B) Layers on Blanket Wafers." ECS Transactions 109, no. 4 (2022): 217–36. http://dx.doi.org/10.1149/10904.0217ecst.

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In this paper, epitaxial growths or depositions were performed, in 300 mm RP-CVD chambers, on two types of templates: N-type Si substrates or poly-Si/oxide/ P-type Si substrates. SiH4+HCl+H2 and SiH2Cl2+HCl+GeH4+H2 chemistries were used to deposit Si and SiGe layers between 675-750°C and 10-20 Torr on such wafers. Monocrystalline and polycrystalline growth kinetics were similar for intrinsic SiGe. Meanwhile, growth kinetics and boron incorporation were different for mono-Si:B, mono-SiGe:B, poly-Si:B and poly-SiGe:B layers. While the impact of B atoms is well documented in monocrystalline layer
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41

Mesnier, Alex, and Arumugam Manthiram. "Influence of Single-Crystalline Morphology on High-Nickel Layered Oxide Cathodes for Lithium-Ion Batteries." ECS Meeting Abstracts MA2023-01, no. 2 (2023): 478. http://dx.doi.org/10.1149/ma2023-012478mtgabs.

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Single-crystal, high-nickel layered oxides have seen increasing interest due to their potential to address the surface reactivity and mechanical resilience issues inherent to these cathode compositions. Great strides have been made in methods for synthesizing single-crystal layered oxides, but much is still unknown about the impact of single-crystalline morphology on the electrochemical behavior of these materials. Here, we report a comparative study on the electrochemical operation of single- and polycrystalline LiNiO2, respectively termed SCLNO and PCLNO. SCLNO is synthesized with a molten-s
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42

Ramamurthy, Sundar, Brian C. Hebert, and C. Barry Carter. "Olivine-MgO interfaces produced by crystallization of glass fulms on single-crystal MgO substrates." Proceedings, annual meeting, Electron Microscopy Society of America 53 (August 13, 1995): 342–43. http://dx.doi.org/10.1017/s0424820100138087.

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Glassy silicates are present at grain boundaries in almost all liquid-phase sintered ceramic oxides. In many cases, the amorphous-crystalline interfaces in the sintered microstructure can be modified by inducing crystallization of the glassy phase. The intergranular phases in polycrystalline MgO are typically silicates with cations of calcium, magnesium and iron in the silicate network. A systematic approach to study the crystallization behavior of glass-MgO interfaces has been attempted in the present study. Following the work by Mallamaci in which crystallization of a silicate glass in conta
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43

Kavindra, Kandpal, and Gupta Navneet. "Zinc Oxide Thin Film Transistors: Advances, Challenges and Future Trends." Bulletin of Electrical Engineering and Informatics 5, no. 2 (2016): 205–12. https://doi.org/10.11591/eei.v5i2.530.

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This paper presents a review on recent developments and future trends in zinc oxide thin film transistors (ZnO TFTs) together with challenges involved in this technology. It highlights ZnO TFT as next generation choice over other available thin film transistor technology namely a – Si: H (amorphous hydrogenated silicon), poly-Si (polycrystalline silicon) and OTFT (organic thin film transistor). This paper also provides a comparative analysis of various TFTs on the basis of performance parameters. Effect of high – dielectrics, grain boundaries, trap densities, and threshold voltage
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44

Avioz Cohen, Gal, Nini Pryds, and Yoed Tsur. "Gadolinia Doped Ceria with Engineered Grain Boundaries as Potential Electrolyte Material for Thin-Film Solid Oxide Fuel Cells." ECS Meeting Abstracts MA2023-02, no. 65 (2023): 3137. http://dx.doi.org/10.1149/ma2023-02653137mtgabs.

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Thin-film solid oxide fuel cells are receiving increasing attention within the scientific community thanks to their high energy density and high efficiency in different temperature ranges. To be utilized as power supply systems for portable electronic devices, thin-film solid oxide fuel cells must demonstrate high power supply and low-temperature operation capabilities. Both capabilities are highly dependent on the function of the electrolyte layer, commonly comprised of ceramic mixed-ionic-electronic conductors [1]. The state-of-the-art thin-film solid oxide fuel cells utilize yttrium stabili
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45

Mary, A. Jacquiline Regina, and S. Arumugam. "Structural and Optical Studies of Molarity Based ZnO Thin Films." Nano Hybrids and Composites 17 (August 2017): 140–48. http://dx.doi.org/10.4028/www.scientific.net/nhc.17.140.

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Zinc Oxide thin films were prepared for different precursor solution molarities from 0.025M to 0.1M by spray pyrolysis deposition technique. A comprehensive study was carried out to realize the effect of concentration of precursor on ZnO thin films. The optimized temperature of the glass substrate was 300°C. From the XRD data it is inferred that the films are polycrystalline and hexagonal wurtzite structure . The degree of preferred orientation were along diffraction planes (100), (002) and (101) for all the ZnO films. The intensity of the diffraction peak prepared with 0.1M concentration is h
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46

Jaseliunaite, Justina, and Arvaidas Galdikas. "Kinetic Modeling of Grain Boundary Diffusion: The Influence of Grain Size and Surface Processes." Materials 13, no. 5 (2020): 1051. http://dx.doi.org/10.3390/ma13051051.

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Based on rate equations, the kinetics of atom adsorption, desorption, and diffusion in polycrystalline materials is analyzed in order to understand the influence of grain boundaries and grain size. The boundary conditions of the proposed model correspond with the real situation in the electrolytes of solid oxide hydrogen fuel cells (SOFC). The role of the ratio of grain boundary and grain diffusion coefficients in perpendicular and parallel (to the surface) concentration profiles is investigated. In order to show the influence of absolute values of grain and grain boundary diffusion coefficien
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47

Wang, Anchuan, Nikki L. Edleman, Jason R. Babcock, et al. "Growth, microstructure, charge transport, and transparency of random polycrystalline and heteroepitaxial metalorganic chemical vapor deposition-derived gallium–indium–oxide thin films." Journal of Materials Research 17, no. 12 (2002): 3155–62. http://dx.doi.org/10.1557/jmr.2002.0456.

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Gallium–indium–oxide films (GaxIn2⊟xO3), where x = 0.0–1.1, were grown by low-pressure metalorganic chemical vapor deposition using the volatile metalorganic precursors In(dpm)3 and Ga(dpm)3 (dpm = 2,2,6,6-tetramethyl-3,5-heptanedionato). The films were smooth (root mean square roughness = 50–65 Å) with a homogeneously Ga-substituted, cubic In2O3 microstructure, randomly oriented on quartz or heteroepitaxial on (100) yttria-stabilized zirconia single-crystal substrates. The highest conductivity of the as-grown films was found at x = 0.12, with σ = 700 S/cm [n-type; carrier density = 8.1 × 1019
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48

Lombos, B. A. "Deep levels in semiconductors." Canadian Journal of Chemistry 63, no. 7 (1985): 1666–71. http://dx.doi.org/10.1139/v85-279.

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The role of deep-lying trapping centers in semi-insulating GaAs, polysilicon and polycrystalline tin oxide transparent electrode has been systematically investigated. It was demonstrated that some of the peculiar transport properties of these semiconductors can be elucidated by deep level compensation. A multilevel model is presented to determine the position of the Fermi level as a function of impurity concentrations. These include, quantitatively, the deep-lying levels which have been introduced by doping in the case of GaAs and by grain boundaries in the case of polycrystalline films. In th
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49

Xu, Xu, Zeping Zhang, and Wenjuan Yao. "Mechanical Properties of Graphene Oxide Coupled by Multi-Physical Field: Grain Boundaries and Functional Groups." Crystals 11, no. 1 (2021): 62. http://dx.doi.org/10.3390/cryst11010062.

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Graphene and graphene oxide (GO) usually have grain boundaries (GBs) in the process of synthesis and preparation. Here, we “attach” GBs into GO, a new molecular configuration i.e., polycrystalline graphene oxide (PGO) is proposed. This paper aims to provide an insight into the stability and mechanical properties of PGO by using the molecular dynamics method. For this purpose, the “bottom-up” multi-structure-spatial design performance of PGO and the physical mechanism associated with the spatial structure in mixed dimensions (combination of sp2 and sp3) were studied. Also, the effect of defect
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50

Kawashige, Ryoma, and Hideyuki Okumura. "The Effect of Hydrogen Annealing on the Electronic Conductivity of Al-Doped Zinc Oxide Thin Films." Materials 18, no. 5 (2025): 1032. https://doi.org/10.3390/ma18051032.

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In this research, Hall effect experiments and optical fittings were mainly conducted to elucidate the effect of hydrogen annealing on the electronic properties of polycrystalline Al-doped Zinc Oxide thin films by distinguishing the scattering by ion impurities and the scattering by grain boundaries. By comparing the carrier density and those mobilities of H2-annealed samples with Ar-annealed samples, the effect of H2 annealing was highlighted. AZO thin films were prepared on the quartz glass substrate at R.T. by an RF magnetron sputtering method, and the carrier density was controlled by chang
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