Αποτελέσματα Αναζήτησης
15 Απρ 2017 · The structural, mechanical and thermodynamic properties of ZrO 2 polymorphs (namely, monoclinic (P 2 1/c), tetragonal (P 4 2/nmc), cubic (F m 3 ¯ m), and orthorhombic (Pbca and Pnma)) are investigated systematically by employing DFT functionals (LDA, PBE and PW91).
- Structures, Phase Transition, Elastic Properties of SnO2 From First-Principles Analysis
An estimate of the zero-temperature transition pressure...
- First-principles Study of Structural, Optical and Elastic Properties of Cubic HfO2
The total and the partial density of states of cubic HfO 2...
- In Vitro Performance of Zirconia and Titanium Implant/Abutment Systems for Anterior Application
Methods. Eight groups of implant–abutment combinations (n =...
- Phase Transitions and Elasticity in Zirconia
It has been demonstrated recently that very accurate ground...
- Theoretical Calculations of Thermodynamic Properties of Tetragonal ZrO2
The thermodynamic properties of tetragonal-ZrO 2 (t-ZrO 2)...
- The Detailed Orbital-Decomposed Electronic Structures of Tetragonal ZrO2
The optimized crystal structure of the tetragonal ZrO 2 is...
- In Fluorite Phase
The ground state properties of ZrO 2, HfO 2 and ThO 2 are...
- A DFT Study
The electronic, elastic constants and optical properties of...
- Structures, Phase Transition, Elastic Properties of SnO2 From First-Principles Analysis
Zirconia (ZrO 2) is unique among the fine ceramic oxide group due to its exceptional fracture toughness and thermal expansion properties. As a result, zirconia ceramics are widely used as a specialist solution in hard-wearing and high temperature applications.
16 Απρ 2020 · The structural properties of ZrO 2 nanopowder are studied through the X-ray diffractometer (Rigaku, Ultima-IV). The surface morphology and size of nanoparticles is investigated through Field Emission Scanning Electron Microscopy (JEOL,JSM-7100F).
ZrO 2 is an n-type semiconductor and has many fascinating properties such as a high dielectric constant, ion-exchange ability, a high refractive index, high optical transparency, low thermal conductivity, a low coefficient of thermal expansion, polymorphic nature, and exceptional chemical and optical properties [5, 6].
ZrO2 is Baddeleyite structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Zr4+ is bonded to seven O2- atoms to form a mixture of distorted corner and edge-sharing ZrO7 pentagonal bipyramids.
Zirconium dioxide (ZrO 2) or zirconia is one of the highly stable oxides, created by thermalizing zirconium compounds (Hassan and Jalil 2022). Depending on the various synthesis routes, ZrO 2 can present in the crystalline phases involving monoclinic, tetragonal, and cubic (Zhang et al. 2018).
ZrO2 crystallizes in the tetragonal P4_2/nmc space group. The structure is three-dimensional. Zr4+ is bonded in a distorted body-centered cubic geometry to eight equivalent O2- atoms.
