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
16 Απρ 2020 · The effect of calcination temperature on structural and optical properties of ZrO 2 nanoparticles is investigated through XRD, FESEM, EDX, FTIR, UV–Vis absorption, fluorescence emission and life time measurements. XRD spectrum reveals the tetragonal phase at calcination temperature 600 °C and crystallinity of samples increases with ...
Green ZrO2 nanoparticles display unique properties such as a nanoscale size of 5–50 nm, diverse morphologies, e.g. nanospheres, nanorods and nanochains, and wide bandgap energy of 3.7–5.5 eV. Their high stability and biocompatibility are suitable biomedical and environmental applications, such as pathogen and cancer inactivation, and ...
15 Οκτ 2023 · Properties of ZrO2 and Ag–ZrO2 nanopowders prepared by pulsed electron beam evaporation
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.
7 Νοε 2019 · The catalysts were characterized by a variety of techniques, which disclosed that the surfactant-assisted ZrO 2 nanoparticles possess higher surface area, better acid–base properties, and...
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. There are four shorter (2.09 Å) and four longer (2.44 Å) Zr–O bond lengths.
