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  1. Investigation of the Influence of Solid–Liquid Interface Shape Based on the Jordan Model on Cz-Silicon Dislocation Defects

    During the growth of Czochralski single crystal silicon, the change of solid–liquid interface shape leads to uneven distribution of thermal stress,...

    Tai Li, Liang Zhao, ... Wenhui Ma in Silicon
    Article 18 November 2023
  2. ENERGIES OF INTRINSIC DEFECTS IN THE NaGd(MoO4)2 SODIUM-GADOLINIUM MOLYBDATE

    Abstract

    The energies of intrinsic defects in sodium-gadolinium molybdate crystals are estimated by atomistic modeling. It is established that sodium...

    V. B. Dudnikova, N. N. Eremin in Journal of Structural Chemistry
    Article 29 September 2023
  3. Prediction of Crystal Structures Using Evolutionary Algorithms and Related Techniques

    Methods, evolutionary and systematic search approaches, and applications of crystal structure prediction of closest-packed and framework materials...
    Chapter
  4. Effect of TiO2 Crystal Facet on Pd/Anatase Catalysts for Formaldehyde Oxidation

    Crystal facet engineering is an effective strategy for designing efficient catalysts to improve the ability to oxidize formaldehyde (HCHO). In this...

    Xudong Chen, Li** Zhou, ... Wenpo Shan in Topics in Catalysis
    Article 03 April 2024
  5. Analysis and Observation of Polymer Crystal Structures at the IndividualStem Level

    Several theories or schemes of polymer crystallization that differ from classical nucleationand growth processes have been put forth recently. They...
    Chapter
  6. The CsCs and CsCsV Defects in Silicon: Density Functional Theory Calculations

    Carbon-related defects in silicon (Si) are commonly introduced during crystal growth via the Czochralski method and processing. They can play an...

    N. Kuganathan, E. N. Sgourou, ... C. A. Londos in Silicon
    Article Open access 16 October 2023
  7. Paramagnetic Defects in High-Purity Quartz and Cristobalite Grits after Various Stages of Purification

    High-purity quartz and cristobalite grits were obtained using the dressing technology of quartzite from the Eastern Sayan. Electron paramagnetic...

    R. I. Mashkovtsev, A. P. Zhaboedov, A. I. Nepomnyashchikh in Silicon
    Article 27 December 2023
  8. Effect of do** and defects on the optoelectronic properties of ZrSe2 based on the first principle

    Context

    Based on the first principles under the framework of density functional theory, it calculates the effect of vacancy defects in single Zr and...

    Shihang Sun, Lu Yang, ... **nying Tang in Journal of Molecular Modeling
    Article 01 December 2023
  9. A Tunable Multichannel Filter Based on Photonic Crystal

    To solve the problems of complex structure, single wavelength download and large size of multichannel filter, a novel ultrasmall tunable multichannel...

    Cong Hu, **yue Ji, ... Aijun Zhu in Silicon
    Article 15 October 2022
  10. Kinetics of Annealing of Deformation Defects in the Model Alloy Zr–Sn–Fe–Cr

    Abstract

    An annealing of deformation defects in the model alloy Zr–1.4 wt % Sn–0.2 wt % Fe–0.1 wt % Cr after the final stage of thermomechanical...

    E. P. Belan, A. V. Obukhov, ... I. I. Gibadullin in Inorganic Materials: Applied Research
    Article 03 June 2024
  11. Single-Crystal Nickel-Based Cathodes: Fundamentals and Recent Advances

    Lithium-ion batteries (LIBs) represent the most promising choice for meeting the ever-growing demand of society for various electric applications,...

    Shi-jie Lu, Lin-bo Tang, ... Jun-chao Zheng in Electrochemical Energy Reviews
    Article Open access 26 September 2022
  12. Effect of Coating Properties on the Crystal Quality Near the Sidewalls of Multicrystalline Silicon Ingot

    Reducing the defects and impurity contents at the edge of multicrystalline silicon (mc-Si) is an effective way for improving the performance of solar...

    Yulong Liu, Qi Lei, ... Chengyu Liu in Silicon
    Article 30 March 2023
  13. Construction of MnO2 with oxygen defects as cathode material for aqueous zinc ion batteries

    In recent years, aqueous zinc-ion batteries (AZIBs) have been rapidly developed and are favored by the public as a future large-scale energy storage...

    Qiaohui Li, Zhixiang Cao, ... Keyan Bao in Journal of Solid State Electrochemistry
    Article 14 March 2024
  14. Nanoresonator vibrational behaviour analysis of single- and double-layer graphene with atomic vacancy and pinhole defects

    Context

    Nanosensors and actuators are frequently made of graphene. Any defect in the graphene’s manufacturing has an impact on its sensing performance...

    Manisha Makwana, Ajay M Patel in Journal of Molecular Modeling
    Article 19 April 2023
  15. Effect of magnesium compounds on crystal structure, morphology, and electrochemical properties of LiFePO4/C

    The mechanism of magnesium compounds on the crystal structure, morphology, and electrochemical properties of LiFePO 4 has been investigated using...

    Huiqian Mao, Kui Chen, ... Gongsheng Zou in Ionics
    Article 01 July 2023
  16. An Efficient Coupling Scheme Between Photonic Crystal Waveguides and Plasmonic Metal-Insulator-Metal Waveguides

    In this study, an efficient bi-directional optical coupler has been proposed. Our approach involves the development of a novel mechanism aimed at...

    Ehsan Beiranvand, Mohammad Danaie, Majid Afsahi in Plasmonics
    Article 03 May 2024
  17. Analysis of the Characterization of Impurities and Defects in Cast Monocrystalline Silicon with Shadows

    The shadows phenomenon often appears in the infrared flaw detection map due to the accumulation of impurities in the growth process of cast...

    Shilong Liu, Manyu **a, ... Qi Lei in Silicon
    Article 20 September 2022
  18. Molecular dynamics simulation of the scratching process of GaAs with different crystal orientations

    Context

    In order to further improve the manufacturing technology of resonator facet of GaAs (gallium arsenide)-based laser, the scratching process of...

    Hao Huang, Chen Jiang, ... **xin Jiang in Journal of Molecular Modeling
    Article 27 May 2024
  19. Regulating the crystal phase of bismuth-based semiconductors for promoted photocatalytic performance

    Numerous bismuth-based semiconductors (BBSs) with sophisticated and desirable structures used as photocatalysts for efficient photocatalytic...

    Zhaohui Wu, Mei-Chi Chong, ... Yongfa Zhu in Science China Chemistry
    Article 05 March 2024
  20. A solution processible single-crystal porous organic polymer

    Synthetic organic polymers are typically insoluble polycrystalline or amorphous products rather than single crystals. Here we demonstrate that...

    Bai-Tong Liu, Sheng-Hao Gong, ... Rong Cao in Nature Synthesis
    Article 04 May 2023
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