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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
PIB is a non-empirical model for calculation of static and...
- 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
There are number of complex transition metal oxides (Na x...
- Structures, Phase Transition, Elastic Properties of SnO2 From First-Principles Analysis
ZrO₂ is Fluorite structured and crystallizes in the cubic Fm̅3m space group. Zr⁴⁺ is bonded in a body-centered cubic geometry to eight equivalent O²⁻ atoms. All Zr-O bond lengths are 2.20 Å. O²⁻ is bonded to four equivalent Zr⁴⁺ atoms to form a mixture of edge and corner-sharing OZr₄ tetrahedra.
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.
It covers the stabilisation or zirconia to produce optimal properties and details several applications for the material such as blades, seals, valves, pumps, implants, refractories and electronics. This article provides a detailed overview on zirconia.
Zirconium dioxide, also known as zirconia, is a fascinating and versatile chemical compound with the formula ZrO 2. Derived from the metal zirconium, this inorganic compound boasts of a wealth of applications in a wide array of industries – thanks to its unique chemical and physical properties.
Aleksander Gurlo. ZrO2 is a versatile material with diverse applications, including structural ceramics, sensors, and catalysts. The properties of ZrO2 are largely determined by its crystal...
22 Ιουν 2018 · 2 Altmetric. Metrics. Subjects. Atomistic models. Corrosion. Abstract. Addition of zirconia (ZrO 2) to nuclear waste glasses, even in small amount, significantly affects physical properties...
