Effect of Y concentration and film thickness on microstructure and electrical properties of HfO2 based thin films

In this work, we introduced a simple solution processing method to prepare yttrium (Y) doped hafnium oxide (HfO₂) based dielectric films. The films had high densities, low surface roughness, maximum permittivity of about 32, leakage current < 1.0 × 10^?7 A/cm² at 2 MV/cm, and breakdown field >5.0 MV/cm. In addition to dielectric performance, we investigated the influence of YO_1.5 fraction on the electronic structure between Y doped HfO₂ thin films and silicon (Si) substrates. The valence band electronic structure, energy gap and conduction band structure changed linearly with YO_1.5 fraction. Given this cost-effective deposition technique and excellent dielectric performance, solution-processed Y doped HfO₂ based thin films have the potential for insulator applications.     

Effect of Cu-Rich Phase Precipitation on the Microstructure and Mechanical Properties of CoCrNiCux Medium-Entropy Alloys Prepared via Laser Directed Energy Deposition

CoCrNiCux (x=0.16,0.33,0.75,and 1) without macro-segregation medium-entropy alloys (MEAs) was prepared using laser directed energy deposition (LDED).The microstructure and mechanical properties of CoCrNiCux alloys with increas-ing Cu content were investigated.The results indicate that a single matrix phase changes into a dual-phase structure and the tensile fracture behaviors convert from brittle to plastic pattern with increasing Cu content in CoCrNiCux alloys.In addi-tion,the tensile strength of CoCrNiCux alloys increased from 148 to 820 MPa,and the ductility increased from 1 to 11％with increasing Cu content.The nano-precipitated particles had a mean size of approximately 20 nm in the Cu-rich phase area,and a large number of neatly arranged misfit dislocations were observed at the interface between the two phases due to Cu-rich phase precipitation in the CoCrNiCu alloy.These misfit dislocations hinder the movement of dislocations during tensile deformation,as observed through transmission electron microscopy.This allows the CoCrNiCu alloy to reach the largest tensile strength and plasticity,and a new strengthening mechanism was achieved for the CoCrNiCu alloy.Moreover,twins were observed in the matrix phase after tensile fracture.Simultaneously,the dual-phase structure with different elastic moduli coordinated with each other during the deformation process,significantly improving the plasticity and strength of the CoCrNiCu alloy.     

Inhibiting effect of heterogeneous cations aggregation enhanced by oxygen deficiency on glass formation of BaTi2O5 melts

Although remarkable development of titanate-based glasses has been achieved, challenge remains to elucidate the correlation between structure and glass-forming properties in these systems due to their complex structure that is inconsistent with the classic Zachariasen's model. In this work, we aim to correlate the structural evolution of titanate melts to their glass-forming ability (GFA). The prototypical material barium dititanate (BaTi₂O₅, BT2) melts with different GFA were rendered by controlled melting atmospheres, and the corresponding structural changes were determined using in situ high-energy synchrotron X-ray diffraction combined with empirical potential structure refinement and ab initio molecular dynamics. The results show that BT2 melt in reducing atmosphere shows poor GFA but that in oxidizing atmosphere presents good GFA. Structural analysis demonstrates the mean coordination number of [TiO_m] polyhedra is analogous in the melt under two different atmospheres but an enhanced heterogeneous cations aggregation takes place in the melt under reducing atmosphere, which is closely related to oxygen-deficiencies. Furthermore, we reveal that the enhanced heterogeneous cations aggregation promotes crystallization (and therefore hinders glass formation) through disordering the distribution of [TiO_m] and [BaO_n] polyhedra, changing the connectivity between these polyhedra, creating more crystal-like Ti-Ti clusters, and decreasing topological disorder of BT2 melt. Our work provides a new viewpoint to understand the GFA of titanates melt from structural heterogeneity beyond the previous perspectives that only focus on [TiO_m] polyhedra.     

Device and Method for Measuring the Efficiency of Spontaneous Imbibition and Displacement in a Low-Permeability Reservoir

Chemistry and Technology of Fuels and Oils - In this paper, the authors have developed a new device and method for measuring the efficiency of spontaneous imbibition and displacement in a low...     

Three distinct optical-switching states in phase-change materials containing impurities:From physical origin to material design

Ge2Sb2Tes is the most widely utilized chalcogenide phase-change material for non-volatile photonic applications,which undergoes amorphous-cubic and cubic-hexagonal phase transition under external excitations.However,the cubic-hexagonal optical contrast is negligible,only the amorphous-cubic phase transition of Ge2Sb2Te5 is available.This limits the optical switching states of traditional active dis-plays and absorbers to two.We find that increasing structural disorder difference of cubic-hexagonal can increase optical contrast close to the level of amorphous-cubic.Therefore,an amorphous-cubic-hexagonal phase transition with high optical contrast is realized.Using this phase transition,we have developed display and absorber with three distinct switching states,improving the switching perfor-mance by 50％.Through the combination of first-principle calculations and experiments,we reveal that the key to increasing structural disorder difference of amorphous,cubic and hexagonal phases is to intro-duce small interstitial impurities(like N)in Ge2Sb2Tes,rather than large substitutional impurities(like Ag)previously thought.This is explained by the formation energy and lattice distortion.Based on the impurity atomic radius,interstitial site radius and formation energy,C and B are also potential suit-able impurities.In addition,introducing interstitial impurities into phase-change materials with van der Waals gaps in stable phase such as GeSb4Te7,GeSb2Te4,Ge3Sb2Te6,Sb2Te3 will produce high optical con-trast amorphous-metastable-stable phase transition.This research not only reveals the important role of interstitial impurities in increasing the optical contrast between metastable-stable phases,but also proposes varieties of candidate matrices and impurities.This provides new phase-change materials and design methods for non-volatile optical devices with multi-switching states.     

Large domain-wall currents in epitaxial Au/BiFeO3/SrRuO3 thin-film capacitors with modulated oxygen vacancy and wall densities

Large domain wall (DW) conductivity in an insulating ferroelectric plays an important role in the future nanosensors and nonvolatile memories. However, the wall current was usually too small to drive high-speed memory circuits and other agile nanodevices requiring high output-powers. Here, a large domain-wall current of 67.8 μA in a high on/off ratio of ~4460 was observed in an epitaxial Au/BiFeO₃/SrRuO₃ thin-film capacitor with the minimized oxygen vacancy concentration. The studies from read current-write voltage hysteresis loops and piezo-response force microscope images consistently showed remaining of partially unswitched domains after application of an opposite poling voltage that increased domain wall density and wall current greatly. A theoretical model was proposed to explain the large wall current. According to this model, the domain reversal occurs with the appearance of head-to-head and tail-to-tail 180° domain walls (DWs), resulting in the formation of highly conductive wall paths. As the applied voltage increased, the domain-wall number increased to enhance the on-state current, in agreement with the measurements of current-voltage curves. This work paves a way to modulate DW currents within epitaxial Au/BiFeO₃/SrRuO₃ thin-film capacitors through the optimization of both oxygen vacancy and domain wall densities to achieve large output powers of modern domain-wall nanodevices.     

Reusable Polyacrylonitrile-Sulfur Extractor of Heavy Metal Ions from Wastewater

Mercury, lead, and cadmium are among the most toxic and carcinogenic heavy metal ions (HMIs), posing serious threats to the sustainability of aquatic ecosystems and public health. There is an urgent need to remove these ions from water by a cheap but green process. Traditional methods have insufficient removal efficiency and reusability. Structurally robust, large surface-area adsorbents functionalized with high-selectivity affinity to HMIs are attractive filter materials. Here, an adsorbent prepared by vulcanization of polyacrylonitrile (PAN), a nitrogen-rich polymer, is reported, giving rise to PAN-S nanoparticles with cyclic π-conjugated backbone and electronic conductivity. PAN-S can be coated on ultra-robust melamine (ML) foam by simple dipping and drying. In agreement with hard/soft acid/base theory, N- and S-containing soft Lewis bases have strong binding to Hg²⁺, Pb²⁺, Cu²⁺, and Cd²⁺, with extraordinary capture efficiency and performance stability. Furthermore, the used filters, when collected and electrochemically biased in a recycling bath, can release the HMIs into the bath and electrodeposit on the counter-electrode as metallic Hg⁰, Pb⁰, Cu⁰, and Cd⁰, and the PAN-S@ML filter can then be reused at least 6 times as new. The electronically conductive PAN-S@ML filter can be fabricated cheaply and holds promise for scale-up applications.     

Effect of wind condition on unintended hydrogen release in a hydrogen refueling station

Ambient condition, especially the wind condition, is an important factor to determine the behavior of hydrogen diffusion during hydrogen release. However, only few studies aim at the quantitative study of the hydrogen diffusion in a wind-exist condition. And very little researches aiming at the variable wind condition have been done. In this paper, the hydrogen diffusion in different wind condition which including the constant wind velocity and the variable wind velocity is investigated numerically. When considering the variable wind velocity, the UDF (user defined function) is compiled. Characteristics of the FGC (flammable gas cloud) and the HMF (hydrogen mass fraction) are analyzed in different wind condition and comparisons are made with the no-wind condition. Results indicate that the constant wind velocity and the variable wind velocity have totally different effect for the determination of hydrogen diffusion. Comparisons between the constant wind velocity and the variable wind velocity indicate that the variable wind velocity may cause a more dangerous situation since there has a larger FGC volume. More importantly, the wind condition has a non-negligible effect when considering the HMF along the radial direction. As the wind velocity increases, the distribution of the HMF along the radial direction is not Gaussian anymore when the distance between the release hole and the observation line exceeds to a critical value. This work can be a supplement of the research on the hydrogen release and diffusion and a valuable reference for the researchers.