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
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
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.
Zirconium dioxide (ZrO. 2), sometimes known as zirconia (not to be confused with zircon), is a white crystalline oxide of zirconium. Its most naturally occurring form, with a monoclinic crystalline structure, is the mineral baddeleyite.
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.
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...
12 Δεκ 2000 · Effects of rare earth, transition and post transition metal ions on structural and optical properties and photocatalytic activities of zirconia (ZrO2) nanoparticles synthesized via the facile precipitation process.
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.
