Search Results (7)

This study uses atmospheric plasma spraying (APS) technology to prepare thermal barrier coatings (TBCs) with yttrium-stabilized zirconia (YSZ) and Yb₂O₃-Y₂O₃-co-stabilized ZrO₂ (YbYSZ) materials at different spraying powers. It analyzes the differences and changes in the microstructure, thermodynamic properties, and mechanical properties of the TBCs. The CaO-MgO-Al₂O₃-SiO₂ (CMAS) resistance of coatings was tested using thermal cycling-CMAS experiments and isothermal corrosion experiments. Compared to YSZ coatings, YbYSZ coatings have lower thermal conductivity, a higher hardness and elastic modulus, a longer lifetime under thermal cycling-CMAS conditions, and lower penetration and degradation depths. Under thermal cycling-CMAS coupling conditions, the optimal power range for the longest thermal cycling lifetime for both coatings is 39–40 kW. Overall, compared to the YSZ material, the YbYSZ material exhibits superior properties. Full article

Hydrogen atoms can enter into metallic materials through penetration and diffusion, leading to the degradation of the mechanical properties of the materials, and the application of hydrogen barrier coatings is an effective means to alleviate this problem. Zirconia coatings (ZrO₂) have been widely studied as a common hydrogen barrier coating, but zirconia undergoes a crystalline transition with temperature change, which can lead to volumetric changes in the coating and thus cause problems such as cracking and peeling of the coating. In this work, ZrO₂ coating was prepared on a Q235 matrix using a sol-gel method, while yttria-stabilized zirconia (YSZ) coatings with different contents of rare earth elements were prepared in order to alleviate a series of problems caused by the crystal form transformation of ZrO₂. The coating performances were evaluated by the electrochemical hydrogen penetration test, pencil hardness test, scratch test, and high-temperature oxidation test. The results show that yttrium can improve the stability of the high-temperature phase of ZrO₂, alleviating the cracking problem of the coating due to the volume change triggered by the crystalline transition; improve the consistency of the coating; and refine the grain size of the oxide. The performance of YSZ coating was strongly influenced by the yttria doping mass, and the coating with 10 wt% yttria doping had the best hydrogen barrier performance, the best antioxidant performance, and the largest adhesion. Compared with the matrix, the steady-state hydrogen current density of the YSZ coating decreased by 72.3%, the antioxidant performance was improved by 65.8%, and the ZrO₂ coating hardness and adhesion levels were B and 4B, respectively, while YSZ coating hardness and adhesion were upgraded to 2H and 5B. With the further increase in yttrium doping mass, the hardness of the coating continued to improve, but the defects of the coating increased, resulting in a decrease in the hydrogen barrier performance, antioxidant performance, and adhesion. In this work, the various performances of ZrO₂ coating were significantly improved by doping with the rare earth element, which provides a reference for further development and application of oxide coatings. Full article

In this study, we considered the structural stability, electronic properties, and phonon dispersion of the cubic (c-ZrO₂), tetragonal (t-ZrO₂), and monoclinic (m-ZrO₂) phases of ZrO₂. We found that the monoclinic phase of zirconium dioxide is the most stable among the three phases in terms of total energy, lowest enthalpy, highest entropy, and other thermodynamic properties. The smallest negative modes were found for m-ZrO₂. Our analysis of the electronic properties showed that during the m–t phase transformation of ZrO₂, the Fermi level first shifts by 0.125 eV toward higher energies, and then decreases by 0.08 eV in the t–c cross-section. The band gaps for c-ZrO₂, t-ZrO₂, and m-ZrO₂ are 5.140 eV, 5.898 eV, and 5.288 eV, respectively. Calculations based on the analysis of the influence of doping 3.23, 6.67, 10.35, and 16.15 mol. %Y₂O₃ onto the m-ZrO₂ structure showed that the enthalpy of m-YSZ decreases linearly, which accompanies the further stabilization of monoclinic ZrO₂ and an increase in its defectiveness. A doping-induced and concentration-dependent phase transition in ZrO₂ under the influence of Y₂O₃ was discovered, due to which the position of the Fermi level changes and the energy gap decreases. It has been established that the main contribution to the formation of the conduction band is made by the p-states of electrons, not only for pure systems, but also those doped with Y₂O₃. The t-ZrO₂ (101) and t-YSZ (101) surface models were selected as optimal surfaces for water adsorption based on a comparison of their surface energies. An analysis of the mechanism of water adsorption on the surface of t-ZrO₂ (101) and t-YSZ (101) showed that H₂O on unstabilized t-ZrO₂ (101) is adsorbed dissociatively with an energy of −1.22 eV, as well as by the method of molecular chemisorption with an energy of −0.69 eV and the formation of a hydrogen bond with a bond length of 1.01 Å. In the case of t-YSZ (101), water is molecularly adsorbed onto the surface with an energy of −1.84 eV. Dissociative adsorption of water occurs at an energy of −1.23 eV, near the yttrium atom. The results show that ab initio approaches are able to describe the mechanism of doping-induced phase transitions in (ZrO₂+Y₂O₃)-like systems, based on which it can be assumed that DFT calculations can also flawlessly evaluate other physical and chemical properties of YSZ, which have not yet been studied quantum chemical research. The obtained results complement the database of research works carried out in the field of the application of biocompatible zirconium dioxide crystals and ceramics in green energy generation, and can be used in designing humidity-to-electricity converters and in creating solid oxide fuel cells based on ZrO₂. Full article

The paper considers the new effects of the nanoscale state of matter, which open up prospects for the development of electronic devices using new physical principles. The contacts of chemically homogeneous nanoparticles of yttrium-stabilized zirconium oxide (ZrO₂—x mol% Y₂O₃, x = 0, 3, 4, 8; YSZ) with different sizes of 7.5 nm and 9 nm; 7.5 nm and 11 nm; and 7.5 nm and 14 nm, respectively, was studied on direct current using nanostructured objects in the form of compacts obtained by high-hydrostatic pressure (HP-compacts of 300MPa). A unique size effect of the nonlinear (rectifying-type contact) dependence of the electrical properties (in the region U < 2.5 V, I ≤ 2.7 mA) of the contact of different-sized YSZ nanoparticles of the same chemical composition is revealed, which indicates the possibility of creating semiconductor structures of a new type (homogeneous electronics). The electronic structure of the near-surface regions of nanoparticles of studied oxide materials and the possibility of obtaining specifically rectifying properties of the contacts were studied theoretically. Models of surface states of the Tamm-type are constructed considering the Coulomb long-range action. The discovered energy variance and its dependence on the curvature of the surface of nanoparticles made it possible to study the conditions for the formation of a contact potential difference in cases of nanoparticles of the same radius (synergistic effect), different radii (doped and undoped variants), as well as to discover the possibility of describing a group of powder particles within the Anderson model. The determined effect makes it possible to solve the problem of diffusion instability of semiconductor heterojunctions and opens up prospects for creating electronic devices with a fundamentally new level of properties for use in various fields of the economy and breakthrough critical technologies. Full article

Yttrium-stabilized zirconia thermal barrier coatings (TBCs) of combustion chambers and piston crowns are used most frequently to increase the chamber temperature and the internal combustion engine efficiency. The development of multilayer metal matrix composite coating is of great importance to diminish the ceramic thermal barrier coating’s brittleness and susceptibility to degradation providing the similar thermal insulation. Our group is developing multilayer TBCs based on intermetallic (Fe-Al) compounds combined with alternating zirconia-based layers made by low-pressure cold spraying (LPCS) and sintering. The Fe-Al intermetallic phase was synthesized during reaction sintering of stainless steel and Al particles in the powder layer previously obtained by cold spraying. A double-nozzle low-pressure cold-spraying gun was used to deposit two layers (stainless steel and Al-YSZ) per one track. The effect of the breaking of the brittle ZrO₂ particles due to impingement with the substrate results in the formation of a relatively homogeneous structure with ZrO₂ particle size of 3–10 μm. Cold-spray deposition of additional Cu-Ni-Graphene catalytic layers on the TBCs is developed to improve performance and emissions of engines. The microstructure, thermal conductivity, thermal shock behavior and microhardness of TBCs were examined and discussed. Full article

The selective transformation of secondary alcohols to alpha-olefins is a challenging task in heterogeneous catalysis, as is the case of 4-methyl-2-pentanol (4M2Pol) conversion to 4-methyl-1-pentene (4M1P). Herein, the co-precipitated yttria-stabilized zirconia (YSZ) catalysts exhibit superior performance to both bare and Y-impregnated ZrO₂ in selective 4M2Pol dehydration. In order to track the activity origin of YSZ, temperature-programmed desorption experiments using NH₃ and CO₂ are performed along with X-ray photoelectron spectroscopy. The conversion of 4M2Pol (max. 85%) is proportional to weak acidity and inverse to medium basicity. In contrast, the selectivity of 4M1P increases to 80% as the ratio of weak acidity to medium basicity is close to and exceeds the unity. These indications corroborate that the balanced acid–base pair of YSZ leads to the selective formation of 4M1P from 4M2Pol, which is caused by strong interaction between zirconia and yttria in the YSZ. Additionally, the dehydration activity over YSZ of 4 mol% yttrium is sustained at 450 °C for 50 h. Therefore, the YSZ, which is often used for electrocatalysis, is believed to be a promising catalyst in the dehydration of 4M2Pol and, further, secondary alcohols. Full article

In order to achieve better knowledge of the thermal barrier coatings (TBCs) by supersonic atmospheric plasma spraying (SAPS) process, an experimental study was carried out to elaborate the physicochemical properties of particles in-flight during the SAPS process. One type of commercially available agglomerated and sintered yttria-stabilized-zirconia (YSZ) powder was injected into the SAPS plasma jet and collected by the shock chilling method. The YSZ particles’ in-flight physicochemical properties during the SAPS process, including melting state, morphology, microstructure, particle size distribution, element composition changes, and phase transformation, have been systematically analyzed. The melting state, morphology, and microstructure of the collected particles were determined by scanning electron microscopy (SEM). The particle size distribution was measured by a laser diffraction particle size analyzer (LDPSA). Element compositions were quantitatively analyzed by an electron probe X-ray microanalyzer (EPMA). Additionally, the X-ray diffraction (XRD) method was used to analyze the phase transformation. The results showed that the original YSZ powder injected into the SAPS plasma jet was quickly heated and melted from the outer layer companied with breakup and collision-coalescence. The outer layer of the collected particles containing roughly hexagonal shaped grains exhibited a surface texture with high sphericity and the inside was dense with a hollow structure. The median particle size had decreased from 45.65 to 42.04 μm. In addition to this, phase transformation took place, and the content of the zirconium (Zr) and yttrium (Y) elements had decreased with the evaporation of ZrO₂ and Y₂O₃. Full article