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
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.
This article provides a detailed overview on zirconia. 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.
The properties of ZrO2 are largely determined by its crystal structure, which is temperature‐ and atmosphere dependent.
29 Νοε 2021 · The structural and electronic properties of ZrO2 polymorphs were investigated using density functional theory (DFT). The Kohn–Sham equations were solved by applying the full-potential...
The nickel/zirconia (Ni/ZrO2) interface plays a key role in the performance of the anode of solid oxide fuel cells (SOFC) and it is therefore important to understand the interaction between...
7 Νοε 2019 · The response surface methodology central composite design was employed to investigate various factors, like the surfactant/Zr molar ratio, pH, aging time, and temperature on the ZrO2 surface area.
