The structural, mechanical, dislocation, and electronic properties of the Sc3AlC MAX phase under applied pressure are investigated in detail using first-principles calculations. key parameters, including lattice param...
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The structural, mechanical, dislocation, and electronic properties of the Sc3AlC MAX phase under applied pressure are investigated in detail using first-principles calculations. key parameters, including lattice parameter ratios, elastic constants, Young’s modulus, bulk modulus, shear modulus, brittle-to-ductile behavior, Poisson’s ratio, anisotropy, Cauchy pressure, yield strength, Vickers hardness, and energy factors, are systematically analyzed as a function of applied pressure. The results demonstrate that the Sc3AlC MAX phase exhibits remarkable mechanical stability within the pressure range of 0 to 60 GPa. Notably, applied pressure markedly improves its mechanical properties, such as resistance to elastic, bulk, and shear deformations. The B/G ratio suggests a tendency toward ductile behavior with increasing pressure, and the negative Cauchy pressure indicates the directional characteristics of interatomic bonding in nature. Vickers hardness and yield strength increase under pressures of 0 to 10 GPa and then decrease sharply above 50 GPa. High pressure suppresses dislocation nucleation due to the increased energy factors, along with twinning deformation. Furthermore, electronic structure analysis confirms that high pressure enhances the interatomic bonding in the Sc3AlC MAX phase, while the enhancement effect is not substantial. This study offers critical insights for designing MAX phase materials for extreme environments, advancing applications in aerospace and electronics fields.
Tetraphenylporphyrin(TPP) is a typical red-emitting luminogen showing evident aggregation caused quenching(ACQ) effect. To enhance its emission efficiency in solid state, four tetraphenylethene(TPE)units were attached...
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Tetraphenylporphyrin(TPP) is a typical red-emitting luminogen showing evident aggregation caused quenching(ACQ) effect. To enhance its emission efficiency in solid state, four tetraphenylethene(TPE)units were attached to the four meso-positions of TPP core via ester group through a facile and efficient route. The derived compound(4(TPE-COO)-TPP) emits red fluorescence(peak at 655 nm) with a good quantum efficiency(F) of 7.5%, which is much higher than that of TPP(Φ~ 0.1%). In molecular aggregate formed in tetrahydrofuran(THF) and water mixtures, 4(TPE-COO)-TPP has a relative high F of 12%. The evidently subdued ACQ behavior can be ascribed to the propeller shape and bulky size of the TPE units,which prevent the close packing and strong p-p interaction of TPP cores. The loose molecular packing and weak interchromophore interactions were validated by different characterization methods including UV-visible absorption, steady state and transient fluorescence spectroscope, X-ray diffraction and scanning electronic microscope observations. It is noted that 4(TPE-COO)-TPP has an emission efficiency of 14.4% in dilute THF solution. This is due to the conjugation break between the TPP and TPE moieties, the rotational and vibrational motions of the phenyl groups cannot quench the fluorescence of 4(TPE-COO)-TPP.
Conductive coordination polymers(CCPs)have shown great potential for electronic ***,their applications in photodetection have been limited by poor sensitivity,low on/off current ratio,and slow response owing to the lo...
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Conductive coordination polymers(CCPs)have shown great potential for electronic ***,their applications in photodetection have been limited by poor sensitivity,low on/off current ratio,and slow response owing to the low charge generation and/or separation *** this work,metal-to-ligand chargetransfer(MLCT)in PhSeAg was used to fabricate a single-component MLCT photodetecting material for the first time to solve the above *** material obtained possesses ultrahigh sensitivity to weak-light intensity(0.03 mW cm^(−2)),the highest on/off ratio,and the fastest response speed than other wellknown CCPs materials *** work might provide a simple but common strategy for designing high-performance CCPs composites for optoelectrical applications.
Fe-based amorphous coatings (Fe-based AMCs) were successfully prepared on Q235 carbon steel by detonation spray under different spraying parameters. The corrosion and tribology behaviors of coatings were systematicall...
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Fe-based amorphous coatings (Fe-based AMCs) were successfully prepared on Q235 carbon steel by detonation spray under different spraying parameters. The corrosion and tribology behaviors of coatings were systematically tested. The droplets show disk-like morphology with the highest circularity and expansion factor, which is crucial to reduce the defects of coatings and to form fine-lamellar-structures coatings with dense microstructure. A higher incidence of porosity defects in the coating is associated with reduced long-term corrosion resistance. Moreover, the tribo-chemical reactions between Si 3 N 4 balls and water molecules play a significant role in wear behaviors for coating in different humidity conditions. The friction coefficient and wear rate of coatings decrease as the humidity conditions increase.
As an optical material,Y2O3 transparent ceramics are desirable for application as laser host ***,it is difficult to sinter and dense of Y2O3 hinders the preparation of high-quality optical ceramics via traditional ***...
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As an optical material,Y2O3 transparent ceramics are desirable for application as laser host ***,it is difficult to sinter and dense of Y2O3 hinders the preparation of high-quality optical ceramics via traditional *** this work,we use La2O3 as a sintering aid for fabricating high-transparency Y2O3 ceramics using a vacuum sintering *** is demonstrated that the in-line optical transmittance of 15.0 at%La-doped Y2O3 at a wavelength of 1100 nm achieves a transmittance of 81.2%.A sintering kinetics analysis reveals that a grain-boundary-diffusion-controlled mechanism dominates the faster densification at high La3+*** is also shown that both the mechanical and thermal properties of Y2O3 transparent ceramics are significantly improved upon the increase of La2O3 sintering *** results indicate that a La-doped Y2O3 transparent ceramic is a promising candidate for a laser host material.
In this study, a β-phase Mg-14Li-22Zn alloy with high Zn content was fabricated via friction stir processing, demonstrating great potential for high-performance lightweight applications. The influence of tool rotatio...
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In this study, a β-phase Mg-14Li-22Zn alloy with high Zn content was fabricated via friction stir processing, demonstrating great potential for high-performance lightweight applications. The influence of tool rotation speed on microstructure evolution, mechanical properties, and corrosion behavior was investigated. Notably, significant improvements in compressive strength, work-hardening rate, and corrosion resistance were achieved, particularly at a tool rotation speed of 400 rpm, due to the uniform dispersion of MgZn 2 and MgLi 2 Zn phases within the fine-grained microstructure.
The active sites of inexpensive transition metal electrocatalysts are sparse and singular, thus high-entropy alloys composed of non-precious metals have attracted considerable attention due to their multi-component sy...
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The active sites of inexpensive transition metal electrocatalysts are sparse and singular, thus high-entropy alloys composed of non-precious metals have attracted considerable attention due to their multi-component synergistic effects. However, the facile synthesis of high-entropy alloy composites remains a challenge. Herein, we report a “one-stone, two-birds” method utilizing zinc (Zn)-rich metal–organic frameworks as precursors, by virtue of the low boiling point of Zn (907 °C) and its high volatility in alloys, high-entropy alloy carbon nanocomposite with a layered pore structure was ultimately synthesized. The experimental results demonstrate that the volatilization of zinc can prevent metal agglomeration and contribute to the formation of uniformly dispersed high-entropy alloy nanoparticles at slower pyrolysis and cooling rates. Simultaneously, the volatilization of Zn plays a crucial role in creating the hierarchically porous structure. Compared to the zinc-free HEA/NC-1, the HEA/NC-5 derived from the precursor containing 0.8 Zn exhibit massive micropores and mesopores. The resulting nanocomposites represent a synergistic effect between highly dispersed metal catalytic centers and hierarchical adsorption sites, thus achieving excellent electrocatalytic oxygen reduction performance with low catalyst loading compared to commercial Pt/C. This convenient zinc-rich precursor method can be extended to the production of more high-entropy alloys and various application fields.
A mesoporous TiO2−x material comprised of small, crystalline, vacancy-rich anatase nanoparticles (NPs) shows unique optical, thermal, and electronic properties. It is synthesized using polymer-derived mesoporous carbo...
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