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Role of 3Y-TZP grain boundaries in glazing and layering.
Dent Mater
December 2024
School of Materials Science and Engineering, UNSW Sydney, Sydney, NSW 2052, Australia.
Objectives: Monolithic 3 mol% Yttria-stabilized tetragonal zirconia polycrystal or 3Y-TZP exhibits transformation toughening phenomena which is suitable for dental restorations with minimizing the risk of fracture and to decrease reduction of natural tooth. However, the staining/glazing or layering is required to achieve of a match with the optical properties of natural dentition. The hypothesis under examination is that the physical, chemical, and structural aspects of the 3Y-TZP grain boundaries after the staining/glazing or layering.
View Article and Find Full Text PDFExploring the Crystal Structure, Thermodynamics, and Molecular Dynamics of NH(CH)CuCl·2HO Organic-Inorganic Hybrid Perovskite.
ACS Omega
July 2024
Graduate School of Carbon Convergence Engineering, Jeonju University, Jeonju 55069, South Korea.
Understanding the physical properties of the organic-inorganic hybrid NH(CH)CuCl·2HO is necessary for its potential applications. Initially, the monoclinic structure of this crystal was discussed via single-crystal X-ray diffraction. Moreover, the previously unknown phase transition temperature was 350 K, as revealed by differential scanning calorimetry and powder X-ray diffraction.
View Article and Find Full Text PDFTwo-dimensional ferroelastic and ferromagnetic NiOX (X = Cl and Br) with half-metallicity and a high Curie temperature.
Nanoscale
November 2023
School of Computational Science and Electronics, Hunan Institute of Engineering, Xiangtan 411104, China.
Two-dimensional (2D) multiferroic materials with distinctive properties, such as half-metallicity, high Curie temperature (), and magnetoelastic coupling, hold potential applications in novel nanoscale spintronic devices, but they are rare. Using density functional theory (DFT) calculations and evolutionary algorithms, we identify new types of 2D NiOX (X = F, Cl and Br) monolayers that are stable in energy, dynamics, thermodynamics, and mechanics. Among them, NiOF is an indirect-gap antiferromagnetic (AFM) semiconductor, while NiOCl and NiOBr are half-metallic materials with ferromagnetic (FM) ordering with a of 671 and 692 K and in-plane magnetic anisotropy energies (MAEs) of 541 and 609 μeV per Ni along the -axis and -axis, respectively.
View Article and Find Full Text PDFTwo-Dimensional Ferroelasticity and Domain-Wall Flexoelectricity in HgX (X = Br or I) Monolayers.
J Phys Chem Lett
January 2023
Frontier Institute of Science and Technology, and State Key Laboratory of Electrical Insulation and Power Equipment, Xi'an Jiaotong University, Xi'an710049, China.
Electromechanical phenomena in two-dimensional (2D) materials can be related to sizable electric polarizations and switchable spontaneous ferroelasticity, allowing them to be used as miniaturized electronic and memory devices. Even in a parent centrosymmetric (nonpolar) ferroelastic (FE) material, non-zero polarization can be produced around the FE domain wall, owing to the strain-gradient-induced flexoelectricity. Compared with the negligibly weak flexoelectric effect in bulk compounds, significant electric polarizations can be expected in 2D FE materials that sustain a large elastic strain and a strain gradient.
View Article and Find Full Text PDFInfluence of Pd(II) Adsorption on High-Temperature Ferroelastic Phase Transition in (2-Amino-2-thiazolinium)PbBr.
Inorg Chem
January 2023
Jiangsu Key Laboratory for Science and Applications of Molecular Ferroelectrics and School of Chemistry and Chemical Engineering, Southeast University, Nanjing211189, People's Republic of China.
Ferroelastic materials have received special attention because of their great promise for mechanical switches, piezoelectric sensors, and data storage applications. Here, we report a novel ferroelastic semiconducting hybrid organic-inorganic perovskite (CHNS)PbBr () [(CHNS) is 2-amino-2-thiazolinium] with a ferroelastic phase transition at 395 K and an optical band gap of 3.43 eV.
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