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
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.
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.
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.
22 Ιουν 2018 · Addition of zirconia (ZrO2) to nuclear waste glasses, even in small amount, significantly affects physical properties such as chemical durability, density, viscosity, and glass transition...
These compounds allow reducing, capping, chelating, and stabilizing during the transformation of Zr4+ into ZrO2 nanoparticles. 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.
7 Νοε 2019 · In this study, we developed ZrO2-based bifunctional heterogeneous catalysts for simultaneous esterification and transesterification of microalgae to biodiesel.
