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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
The electronic, elastic constants and optical properties of...
- Structures, Phase Transition, Elastic Properties of SnO2 From First-Principles Analysis
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16 Απρ 2020 · Zirconium oxide (ZrO 2) also known as zirconia with its excellent chemical and physical properties have applications such as fuel cells [1], gas sensors [2], optoelectronics [3], catalyst [4], and corrosion resistant material [5].
15 Οκτ 2023 · Introduction. Zirconium is a durable transition metal that, in its oxide state, also known as zirconia or zirconium oxide, has an immense number of uses.
1 Νοε 2023 · Zirconium oxide (ZrO 2), also known as zirconia, is one of the most well-known ceramic materials with excellent physical and chemical properties, such as abrasion resistance, high-temperature resistance, strength, toughness, corrosion resistance, adjustable expansion coefficient, biocompatibility and strong chemical properties of oxygen ion cond...
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.
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