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Crystals, Volume 15, Issue 1

January 2025 - 99 articles

Cover Story: In this paper, the first-principles method is adapted to comparatively study the effects of different substitutional doping elements on the structures and electronic, magnetic, and mechanical properties of Mo2C. The effects of different substitutional doping elements on the physical and mechanical properties of Mo2C are established and analysed. The changes in key magnetic properties associated with different point substitutional doping elements are comparatively analysed with reference to the data on the Mulliken atomic charge, bond population, density of states (DOS), and band structures. The influence of doping elements on the magnetic moment of 3D Mo2C is also compared to their effects on a two-dimensional Mo2C monolayer. The potential applications of DFT modelling for future research related to materials and processing are discussed. View this paper

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Articles (99)

  • Article
  • Open Access
2 Citations
1,941 Views
12 Pages

20 January 2025

Herein, the electronic structure and optical properties of GaAs doped with rare-earth elements (Sc, Y, La, Ce, and Pr) were evaluated using the first-principles method. Results showed that the lattice constants and cell volume of GaAs increased after...

  • Review
  • Open Access
4 Citations
4,604 Views
20 Pages

Binder-Free Hexagonal Boron Nitride Nanosheets (BNNSs) as Protective Coatings for Copper, Steel, and Wood: A Review

  • Muhammad Faheem Maqsood,
  • Syed Muhammad Zain Mehdi,
  • Arslan Ashraf,
  • Umair Azhar,
  • Naseem Abbas,
  • Muhammad Asim Raza and
  • Mohammed Amer

20 January 2025

Hexagonal boron nitride (h-BN) has emerged as a promising dielectric material for protecting metallic substrates such as copper and steel under ambient conditions. The layered structure of h-BN offers significant potential in preventing the oxidation...

  • Article
  • Open Access
1 Citations
1,760 Views
15 Pages

Mosaic Structure of GaN Film Grown on Sapphire Substrate by AP-MOCVD: Impact of Thermal Annealing on the Tilt and Twist Angles

  • J. Laifi,
  • M. F. Hasaneen,
  • H. Bouazizi,
  • Fatimah Hafiz Alsahli,
  • T. A. Lafford and
  • A. Bchetnia

20 January 2025

A GaN layer with a thickness of 2 µm was grown on a sapphire substrate using atmospheric pressure metal–organic chemical vapor deposition (AP-MOCVD). Subsequently, the layer was annealed under a nitrogen atmosphere at temperatures ranging...

  • Article
  • Open Access
1,353 Views
15 Pages

Thermal Behavior, Local-Scale Morphology, and Phase Composition of Spherulites in Melt-Crystallized Poly(Vinylidene Fluoride) Films

  • Denis V. Anokhin,
  • Dana S. Plieva,
  • Martin Rosenthal,
  • Andrei V. Churakov and
  • Dimitri A. Ivanov

20 January 2025

Synchrotron microbeam X-ray diffraction was employed to investigate the local-scale structure and solid-state phase transformation within individual spherulites of poly(vinylidene fluoride) (PVDF). In thin, non-oriented films, PVDF crystallizes into...

  • Article
  • Open Access
1 Citations
1,480 Views
12 Pages

20 January 2025

The radiation mode of the interaction between electromagnetic waves and materials has always been a research hotspot in nanophotonics, and bound states in the continuum (BICs) belong to one of the nonradiative modes. Owing to their high-quality facto...

  • Article
  • Open Access
1 Citations
1,335 Views
13 Pages

20 January 2025

The excavation of the Lieshan Kiln site represents a significant advance in the field of ceramic archaeology. Previous scholars fixated on the white porcelain unearthed from this kiln, yet this study zeroed in on celadon from the Northern Song and Ji...

  • Article
  • Open Access
1,251 Views
17 Pages

Analysis of Microstructure and Performance of Cr3C2/Ni60A Coating on 45 Steel for Laser Cladding Piston Rod

  • Jiafei Pu,
  • Viacheslav Tarelnyk,
  • Yao Ju,
  • Bondarev Sergii Grigorievicth,
  • Xingrong Wang,
  • Qi Dong,
  • Hongfeng Wang and
  • Weiwei Song

19 January 2025

This study investigates the preparation of a high-performance Cr3C2/Ni60A coating on 45# steel through laser cladding technology. The microstructure, residual stress, phase composition, hardness, and wear resistance of the coating are analyzed. The r...

  • Article
  • Open Access
2 Citations
1,498 Views
18 Pages

19 January 2025

Hangzhou was the political and economic center of the Southern Song Dynasty (1127–1279 AD) and also the southern end of the Beijing-Hangzhou Grand Canal during the Ming and Qing Dynasties (1368–1644 AD). This historical position allowed t...

  • Article
  • Open Access
944 Views
18 Pages

19 January 2025

Powder nickel-based superalloy is the key material for hot-end components such as turbine disks and gas engine disks in aeroengines, and its microstructure uniformity has an important influence on the disks’ service performance. However, thermo...

  • Article
  • Open Access
1,513 Views
19 Pages

Enhanced Mechanical and Thermal Properties of Waste Electric Porcelain-Based Solar Energy-Absorbing Thermal Storage Ceramics with Interwoven Mullite Structure

  • Xuejia Zhang,
  • Zhenfei Lv,
  • Junchi Weng,
  • Mengke Fan,
  • Feiyu Fan,
  • Xin Wang,
  • Xuyi Chen,
  • Siqi Shi and
  • Xiulin Shen

18 January 2025

This study addresses the environmental and resource challenges posed by the growing volume of waste electric porcelain in the power industry by developing solar absorption and thermal storage integrated ceramics (SATS ceramics) from waste electric po...

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Crystals - ISSN 2073-4352Creative Common CC BY license