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Journal articles on the topic 'Single Crystalline Oxides - Twin Boundaries'

Author: Grafiati

Published: 7 September 2023

Last updated: 31 July 2025

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1

Bhide, Aniruddha, Suraj Gupta, Rinkoo Bhabal, et al. "Unveiling the kinetics of oxygen evolution reaction in defect-engineered B/P-incorporated cobalt-oxide electrocatalysts." Materials Today Energy 44, August 2024 (2024): 101638. https://doi.org/10.1016/j.mtener.2024.101638.

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Defect-rich transition-metal oxide electrocatalysts hold great promise for alkaline water electrolysis due to their enhanced activity and stability. This study presents a new strategy that significantly improve the OERactivity of Co-oxide nanosheets through incorporation of B and P (B/P-CoO<sub>x</sub> NS), eventually leading to abundant surface defects and oxygen vacancies. The B/P-CoO<sub>x</sub> NS demonstrates low overpotential of 220 mV to achieve 10 mA/cm<sup>2</sup>. The electrochemical and kinetic studies coupled with conventional morphological and structural characterization

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2

Peng, Zhiming, Xuejun Jin, T. Y. Hsu (Xu Zuyao), and Emmanouel Pagounis. "Relaxation of twin boundaries in a Ni2MnGa single crystalline." Materials Science and Engineering: A 481-482 (May 2008): 310–13. http://dx.doi.org/10.1016/j.msea.2006.11.180.

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3

Tachibana, Tomihisa, Takashi Sameshima, Takuto Kojima, et al. "Evaluation of Silicon Substrates Fabricated by Seeding Cast Technique." Materials Science Forum 725 (July 2012): 133–36. http://dx.doi.org/10.4028/www.scientific.net/msf.725.133.

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We evaluated the properties of crystalline defects in silicon substrate, and clarified the origin of small-angle grain boundaries. In order to eliminate the effects of grain boundaries, the ingot was fabricated by unidirectional solidification technique with seed crystal. In single-crystalline region, Σ3 twin boundaries and SiC precipitates were observed near the seed crystal. No obvious relationship between twin boundaries and precipitates was observed. These defect decreased once and the precipitations appeared again. The density of precipitates increased through the crystal growth procedure

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4

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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5

Rothová, Vĕra. "Diffusion in the Presence of Twin Boundaries." Defect and Diffusion Forum 263 (March 2007): 201–6. http://dx.doi.org/10.4028/www.scientific.net/ddf.263.201.

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In this paper, four examples from the literature are introduced in which the presence of high density of twin boundaries could explain an anomalous diffusion behavior. (i) In the case of the grain boundary (GB) self-diffusion in nickel, leakage from the random GBs to considerably high fraction of deformation and/or annealing twins in the samples studied can be a reason for the diverse literature values of activation enthalpy. The diffusion model including participation of two types of GBs is essential for data evaluation. (ii) Segregation of Ge atoms with negligible solubility to twin boundari

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6

Simpson, Yonn Kouh, та C. Barry Carter. "The interaction between basal-twin boundaries and a glassy phase in α-Alumina compacts". Proceedings, annual meeting, Electron Microscopy Society of America 46 (1988): 570–71. http://dx.doi.org/10.1017/s0424820100104911.

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Understanding the nature of glass/crystalline interfaces is not only of fundamental scientific interest but is directly relevant to the liquid-phase sintering of polycrystalline ceramics such as α-alumina. Faceting behavior of alumina in the presence of SiO2 glass has been of much interest in the field of sintering with respect to the grain growth and the grain boundary mobility during sintering. The study of grain boundaries containing a glassy phase in alumina compacts is difficult however, since many of the TEM techniques presently available for the identification of a glassy phase at grain

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7

Sheng, Huaping, He Zheng, Shuangfeng Jia, et al. "Twin structures in CuO nanowires." Journal of Applied Crystallography 49, no. 2 (2016): 462–67. http://dx.doi.org/10.1107/s1600576716001461.

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The structural characteristics of monoclinic CuO nanowires (NWs) fabricated by heating pure Cu in ambient air were investigated by electron microscopy. Besides the single-crystalline NW, four different twinned NWs with twinning planes of (11\bar 1), (002), (110) and {{(20\bar 2)}} have been found. The twin boundaries are generally in parallel with the NW axial direction. To the best of the authors' knowledge, the {{(11\bar 1)}} and (110) twins are reported for the first time in CuO. Moreover, the prevailing existence of {{(11\bar 1)}} and (002) twinned NWs could be closely related to the NW gr

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8

Fan, Lisha, Xiang Gao, Thomas O. Farmer, et al. "Vertically Aligned Single-Crystalline CoFe2O4 Nanobrush Architectures with High Magnetization and Tailored Magnetic Anisotropy." Nanomaterials 10, no. 3 (2020): 472. http://dx.doi.org/10.3390/nano10030472.

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Micrometer-tall vertically aligned single-crystalline CoFe2O4 nanobrush architectures with extraordinarily large aspect ratio have been achieved by the precise control of a kinetic and thermodynamic non-equilibrium pulsed laser epitaxy process. Direct observations by scanning transmission electron microscopy reveal that the nanobrush crystal is mostly defect-free by nature, and epitaxially connected to the substrate through a continuous 2D interface layer. In contrast, periodic dislocations and lattice defects such as anti-phase boundaries and twin boundaries are frequently observed in the 2D

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9

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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10

Sarikaya, Mehmet, Ryoichi Kikuchi, and I. A. Aksay. "Geometry and formation of twins in YBa2Cu3O7-x." Proceedings, annual meeting, Electron Microscopy Society of America 46 (1988): 852–53. http://dx.doi.org/10.1017/s0424820100106326.

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Geometry and formation of twins in the orthorhombic YBa2Cu3O7-x phase are studied by transmission electron microscopy and modeling. Samples with bulk superconductivity at 90K are produced by heating the stoichiometric 1:2:3 proportions of metal oxides with a single heat treatment schedule involving a heating rate of 5°C/min to 950°C (1 hr) and 1°C/min cooling to room temperature. Powder mixtures were formed by colloidal mixing of oxide powders or by molecular mixing techniques.Twinned domains with {110} twin boundaries, parallel to [001] of the orthorhombic lattice, usually form with both vari

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11

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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Carey, M. J., F. E. Spada, A. E. Berkowitz, W. Cao, and G. Thomas. "Preparation and structural characterization of sputtered CoO, NiO, and Ni0.5Co0.5O thin epitaxial films." Journal of Materials Research 6, no. 12 (1991): 2680–87. http://dx.doi.org/10.1557/jmr.1991.2680.

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Single phase CoO, NiO, and Ni0.5Co0.5O epitaxial films have been prepared by reactive sputtering onto 〈0001〉 α−Al2O3 substrates maintained at 373 K. Epitaxy was confirmed by x-ray diffraction (XRD) and high resolution electron microscopy (HREM) techniques. XRD experiments indicate that these monoxide films are cubic and contain rotation twins with the twin axis parallel to 〈111〉. Lattice parameters for the CoO and NiO films are 0.4254 ± 0.0001 nm and 0.4173 ± 0.0006 nm, respectively, and agree with published values for the corresponding bulk oxides. The lattice parameter 0.4220 ± 0.0001 nm for

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13

Daneu, Nina, Goran Dražič, Matjaž Mazaj, Fabrice Barou, and José Alberto Padrón-Navarta. "Formation of contact and multiple cyclic cassiterite twins in SnO₂-based ceramics co-doped with cobalt and niobium oxides." Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials 78, no. 4 (2022): 695–709. http://dx.doi.org/10.1107/s2052520622006758.

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Contact and multiple cyclic twins of cassiterite commonly form in SnO2-based ceramics when SnO2 is sintered with small additions of cobalt and niobium oxides (dual doping). In this work, it is shown that the formation of twins is a two-stage process that starts with epitaxial growth of SnO2 on CoNb2O6 and Co4Nb2O9 seeds (twin nucleation stage) and continues with the fast growth of (101) twin contacts (twin growth stage). Both secondary phases form below the temperature of enhanced densification and SnO2 grain growth; CoNb2O6 forms at ∼700°C and Co4Nb2O9 at ∼900°C. They are structurally related

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14

S. Menon, Ashok, Nickil Shah, James A. Gott, et al. "Does Anisotropic ‘Lattice’ Collapse Always Lead to Cracking in Ni-Rich Layered Oxide Cathode Particles?" ECS Meeting Abstracts MA2023-02, no. 2 (2023): 398. http://dx.doi.org/10.1149/ma2023-022398mtgabs.

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Single-crystalline Ni-rich layered oxides (LiNi x Mn y Co1−x−y O2; x ≥ 0.8) are promising high-energy-density cathodes for future Li-ion batteries as they can withstand cathode particle cracking, which is a significant contributor to electrochemical capacity loss. The absence of grain/particle boundaries substantially mitigates the build-up of bulk structural strain in these materials generated from the anisotropic structural evolution (i.e., lattice collapse) during electrochemical cycling. However, compared to their polycrystalline counterparts, rigorous evaluations of their long-term electr

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15

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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16

Wang, Z. L., Z. W. Pan, and Z. R. Dai. "Structures of Oxide Nanobelts and Nanowires." Microscopy and Microanalysis 8, no. 6 (2002): 467–74. http://dx.doi.org/10.1017/s1431927602010383.

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We have recently reported the synthesis of one-dimensional nanobelt structures of ZnO, SnO2, In2O3, CdO, Ga2O3, and PbO2 by evaporating the desired commercial metal oxide powders at high temperatures (Science (2001), 291, 1947). The as-synthesized oxide nanobelts are pure, structurally uniform, single crystalline, and most of them free from dislocations. The beltlike morphology appears to be a unique and common structural characteristic for the family of semiconducting oxides. In the present article, we focus on the twin and stacking fault planar defects found in oxide nanobelts and nanowires

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17

Ávila, Carlos Fernando, Leonardo Lagoeiro, Paola Ferreira Barbosa, and Leonardo Graça. "EBSD analysis of rhombohedral twinning in hematite crystals of naturally deformed iron formations." Journal of Applied Crystallography 48, no. 1 (2015): 212–19. http://dx.doi.org/10.1107/s1600576714025928.

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The rhombohedral twinning in hematite has an important role in the accommodation of the deformation of hematite single crystals and hematite aggregates. It is a contact twinning and occurs as lamellae parallel to the \{10{\overline 1}2\} planes of hematite as a result of twin gliding on such planes. On account of the recent applications of electron backscatter diffraction (EBSD) techniques in a wide range of microstructural studies, the determination of symmetry operations that relate crystals in a deformed crystalline aggregate is crucial for the full textural characterization. This study pre

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18

Lee, Danwon, Chihyun Nam, Juwon Kim, et al. "(Battery Student Slam 8 Award Winner) Multi-Clustered Lithium Diffusion in Single-Crystalline NMC Battery Particles." ECS Meeting Abstracts MA2024-01, no. 5 (2024): 704. http://dx.doi.org/10.1149/ma2024-015704mtgabs.

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Understanding the diffusion dynamics of lithium within solid-state electrodes is pivotal for developing high-performance batteries. In this context, layered oxides were utilized as a promising cathode material due to their high energy density and fast intraparticle lithium diffusivity. Despite advancements in material composition, coating, and doping, the understanding of intraparticle lithium diffusion has long been described by Fick's law. Conventionally, lithium diffusion is assumed to generate a monotonic lithium concentration gradient within solid-solution single-crystalline battery mater

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19

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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Murshed, M. Mangir, Pei Zhao, Evgeny Alekseev, Ashfia Huq, and Thorsten Gesing. "Lattice thermal expansion of complex oxides with intrinsic anharmonicity." Acta Crystallographica Section A Foundations and Advances 70, a1 (2014): C161. http://dx.doi.org/10.1107/s2053273314098386.

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The lattice thermal expansion of crystalline solids cannot be adequately modeled by Grüneisen approximation using either Einstein single harmonic frequency or Debye frequency spectrum because a true phonon spectrum does not follow either of the two kinds. The Debye model misfits to many observations due to the fact that real solids comprises of axial anisotropy, lattice waves with dispersion at the Brillouin zone boundaries, low/high frequency optical vibrations in excess of the Debye spectrum. The actual frequency distribution is a complicated function of frequency instead of a simple parabol

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Das, Dhrubajyoti, Sanchita Manna, and Sreeraj Puravankara. "Electrolytes, Additives and Binders for NMC Cathodes in Li-Ion Batteries—A Review." Batteries 9, no. 4 (2023): 193. http://dx.doi.org/10.3390/batteries9040193.

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Among the current battery technologies, lithium-ion batteries (LIBs) are essential in shaping future energy landscapes in stationary storage and e-mobility. Among all components, choosing active cathode material (CAM) limits a cell’s available energy density (Wh kg−1), and the CAM selection becomes critical. Layered Lithium transition metal oxides, primarily, LiNixMnyCozO2 (NMC) (x + y + z = 1), represent a prominent class of cathode materials for LIBs due to their high energy density and capacity. The battery performance metrics of NMC cathodes vary according to the different ratios of transi

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Mukhopadhyay, Partha, Zuriel Caribe, Ivan Fletcher, and Jim Fulford. "Characteristics of Wide-Bandgap AlN/Al₂O₃ Bilayer Passivation on Different Substrates by Batch ALD on 200 Mm Platform." ECS Meeting Abstracts MA2025-01, no. 35 (2025): 1689. https://doi.org/10.1149/ma2025-01351689mtgabs.

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In this paper we have investigated the characteristics of a wide-bandgap materials bilayer by aluminum nitride (AlN) and aluminum oxide (AlO) on different substrates of GaN and Si on 200 mm platform by batch atomic layer deposition (ALD) of 100+ wafers. Among III-Nitride wide-bandgap semiconductors, AlN is proven to be a suitable candidate for passivation on GaN-based devices since it has excellent miscibility with similar III-V semiconductor like AlGaN. Additionally, lower lattice mismatch of these two wurtzite structures offers the adjustable bandgap and piezoelectricity which can eventually

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Walker, F. J., R. A. Mckee, S. J. Pennycook, and T. G. Thundat. "Defects and Their Origin in Thin Films of (001) Alkaline Earth Oxides." MRS Proceedings 401 (1995). http://dx.doi.org/10.1557/proc-401-13.

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AbstractMgO is used as an optical isolation layer for waveguides epitaxially grown on silicon. The crystalline perfection of MgO is a critical issue because it serves as a substrate for the single crystal, perovskite guiding layer. Imperfections in the MgO will result in imperfections in the guiding layer and lead to large optical losses for the planar waveguide structure. We show that the most common defect to form in thin films of MgO are twin boundaries between {111}-type planes. The highest density of twins is observed when (001) MgO is grown directly on silicon/MgO interlayers containing

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Mesnier, Alex, and Arumugam Manthiram. "Influence of Single-Crystalline Morphology on the Electrochemical Behavior of High-Nickel Layered Oxide Cathodes." Journal of The Electrochemical Society, August 2, 2023. http://dx.doi.org/10.1149/1945-7111/aceca6.

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Abstract High-nickel layered oxides are being pursued for their high specific capacities. With increasing nickel content, the layered oxides also suffer from structural and morphological instabilities, which degrade the electrochemical performance. Single-crystalline morphology presents an attractive solution to these problems, simultaneously reducing surface area available for parasitic reactions and preventing electrolyte penetration into the bulk with the removal of grain boundaries. Single-crystal cathodes have already shown promising results with NMC composition cathodes, but there are st

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Zhang, Minjie, Jiating Wu, Ke Shi, et al. "Huge magnetostriction in superconducting single-crystalline BaFe1.908Ni0.092As2." Applied Physics Letters 123, no. 7 (2023). http://dx.doi.org/10.1063/5.0166209.

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The performance of iron-based superconductors in high magnetic fields plays an important role for their practical application. In this work, we measured the magnetostriction and magnetization of BaFe1.908Ni0.092As2 single crystals using pulsed magnetic fields up to 60 T and static magnetic fields up to 33 T, respectively. A huge longitudinal magnetostriction (of the order of 10–4) was observed in the direction of twin boundaries. The magnetization measurements evidence a high critical-current density due to strong bulk pinning. By using magnetization data with an exponential flux-pinning model

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Findikoglu, Alp, Terry G. Holesinger, Alyson Niemeyer, Vladimir Matias, and Ozan Ugurlu. "Aligned-Crystalline Si Films on Non-Single-Crystalline Substrates." MRS Proceedings 1150 (2008). http://dx.doi.org/10.1557/proc-1150-rr03-05.

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AbstractWe summarize recent progress in growth and characterization of aligned-crystalline silicon (ACSi) films on polycrystalline metal and amorphous glass substrates. The ACSi deposition process uses, as a key technique, ion-beam-assisted deposition (IBAD) texturing on a non-single-crystalline substrate to achieve a biaxially-oriented (i.e., with preferred out-of-plane and in-plane crystallographic orientations) IBAD seed layer, upon which homo- and hetero-epitaxial buffer layers and hetero-epitaxial silicon (i.e., ACSi) films with good electronic properties can be grown. We have demonstrate

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Talkachov, Anton, Sahal Kaushik, and Egor Babaev. "Microscopic approach to the problem of enhancement and suppression of superconductivity on twinning planes." Physical Review B 111, no. 5 (2025). https://doi.org/10.1103/physrevb.111.054513.

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Using a microscopic approach, we revisit the problem of superconducting critical temperature change in the presence of twin boundaries. We show that both critical temperature enhancement and suppression can come purely from single-electron geometric effects. These include aspects of scattering of electrons on these crystalline defects even when the coupling constant is unchanged. We consider two-dimensional rectangular and three-dimensional body-centered-cubic lattices with on-site s-wave superconducting pairing, nearest- and next-nearest-neighbor hoppings. In the considered two-dimensional la

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Choi, Young Chul, Dong Jae Bae, Seung Mi Lee, et al. "ARC Discharge for the Synthesis of Monoclinic Ga2O3 Nanowires." MRS Proceedings 581 (1999). http://dx.doi.org/10.1557/proc-581-239.

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ABSTRACTMonoclinic gallium oxide (β-Ga2O3) nanowires were catalytically synthesized by electric arc discharge of GaN powders mixed with a small amount (less than 5 %) of transition metals under a pressure of 500 Torr (80 %-Ar + 20 %-O2). Scanning electron microscope (SEM) and high-resolution transmission electron microscope (HRTEM) images showed that the average diameter of the wires were about 30 nm and their lengths were as long as up to one hundred micrometer, resulting in extremely large aspect ratio. Fourier diffractogram was indicative of single crystalline nature of the β-Ga2O3 wire. HR

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Thürmer, Daniel, Orlando R. Deluigi, Herbert M. Urbassek, Eduardo M. Bringa, and Nina Merkert. "Atomistic Simulations of the Shock and Spall Behavior of the Refractory High-Entropy Alloy HfNbTaTiZr." High Entropy Alloys & Materials, July 10, 2024. http://dx.doi.org/10.1007/s44210-024-00042-2.

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AbstractUsing molecular dynamics simulation, we study the effect of a shock wave on the refractory high-entropy alloy HfNbTaTiZr. A single-crystalline sample, shocked along the [001] direction, is considered. The initial compression leads to only weak dislocation activity and a bcc $$\rightarrow$$ → hcp transformation in some regions of the sample. After the shock wave is reflected from the free back surface of the sample, hcp transforms back to bcc, and twins are formed in the bcc phase. The sample spalls under the high tensile pressures developing after wave reflection. In this stage, we obs

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Gao, Y., K. L. Merkle, H. L. M. Chang, T. J. Zhang, and D. J. Lam. "Electron Microscopy Study Of Mocvd-Grown Tio2Thin Films and Tio2/Al203 Interfaces." MRS Proceedings 209 (1990). http://dx.doi.org/10.1557/proc-209-685.

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ABSTRACTTiO2 thin films grown on (1120) sapphire at 800°C by the MOCVD technique have been characterized by transmission electron microscopy. The TiO2 thin films are single crystalline and have the rutile structure. The epitaxial orientation relationship between the TiO2 thin films (R) and the substrate (S) has been foundto be: (101)[010]R║(1l20)[0001]s. Growth twins in the films are commonly observed with the twin plane{101} and twinning direction <011>. Detailed atomic structures of the twin boundaries and TiO2/α-Al203 interfaces have been investigated by highresolution electron micros

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Zhang, Yuhao, Dingze Lu, Zhennan Wang, et al. "Synergetic microstructure engineering by induced ZB/WZ twin boundaries and S vacancies in Zn0.5Cd0.5S-based S-scheme photocatalyst for highly efficient photocatalytic hydrogen production." Inorganic Chemistry Frontiers, 2023. http://dx.doi.org/10.1039/d3qi01187a.

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The surface-abundant active sites, rapid charge transport and associated prolonged electron lifetime, are vital factors that determine efficient photocatalysis. A series of different Zn0.5Cd0.5S solid solutions, including single crystalline Zn0.5Cd0.5S...

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Chen, Xiang, Shayuan Weng, Xing Yue, Tao Fu, and Xianghe Peng. "Effects of Anisotropy and In-Plane Grain Boundary in Cu/Pd Multilayered Films with Cube-on-Cube and Twinned Interface." Nanoscale Research Letters 16, no. 1 (2021). http://dx.doi.org/10.1186/s11671-021-03528-9.

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AbstractIn crystalline materials, grain boundary and anisotropy of crystal structure affect their mechanical properties. The effects of interfacial structure on the mechanical properties may be diverse when the multilayer film is loaded along different directions. In this work, we performed a series of molecular dynamics simulations of the tension of in-plane single and polycrystalline Cu/Pd multilayered films with cube-on-cube (COC) and twinned interfaces to explore the effects of the interfacial structure, loading direction and in-plane grain boundaries on their mechanical properties. The in

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Matsunani, Hiroyuki, Tetsuzo Ueda, and Hironori Nishino. "Step-Controlled Epitaxial Growth of SiC." MRS Proceedings 162 (1989). http://dx.doi.org/10.1557/proc-162-397.

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ABSTRACTVapor phase epitaxial(VPE) growth of SIC on 6H-SiC substrates has been carried out at 1500°C or below. On well-oriented (0001)Si faces, twin crystalline 3C-SiC with double positioning boundaries was grown, whereas on off-oriented (0001)Si faces, single crystalline 6H-SiC was grown with a very smooth surface. This temperature is more than 300°C lower in comparison with that for 6H-SiC VPE growth reported previously. By the introduction of offorientation, the density of surface steps is increased. Crystal growth occurs through lateral growth from the steps. The surface morphology of grow

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Niekiel, Florian, Erdmann Spiecker, and Erik Bitzek. "Influence of anisotropic elasticity on the mechanical properties of fivefold twinned nanowires." August 13, 2015. https://doi.org/10.5281/zenodo.4711480.

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Preprint of Journal of the Mechanics and Physics of Solids 84 (2015) 358–379 Abstract: Previous atomistic simulations and experiments have shown an increased Young's mod- ulus and yield strength of fivefold twinned (FT) face-centered cubic metal nanowires (NWs) when compared to single crystalline (SC) NWs of the same orientation. Here we report the results of atomistic simulations of SC and FT Ag, Al, Au, Cu and Ni NWs with diameters between 2 and 50 nm under tension and compression. The simulations show that the differences in Young's modulus between SC and FT NWs are corre

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Susman, Mariano D., Hien N. Pham, David West, Sivadinarayana Chinta, Abhaya K. Datye, and Jeffrey D. Rimer. "High‐Index NiO Particle Synthesis in Alkali Chloride Salts: Nonclassical Crystallization Pathways and Thermally‐Induced Surface Restructuring." Small, February 6, 2024. http://dx.doi.org/10.1002/smll.202308166.

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Abstract:

AbstractThe formation mechanism(s) of high‐index facets in metal oxides is not widely understood but remains a topic of interest owing to the challenges of stabilizing high‐energy surfaces. These metal oxide crystal surfaces are expected to provide unique physicochemical characteristics; therefore, understanding crystallization pathways may enable the rational design of materials with controlled properties. Here the crystallization of NiO via thermal decomposition of a nickel source in excess of alkali chlorides is examined, focusing on KCl, which produces trapezohedral NiO (311) particles tha

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