Single-Crystalline TiO2(B) Nanobelts with Unusual Large Exposed {100} Facets and Enhanced Li-Storage Capacity

The {100} facet of single-crystalline TiO₂(B) is an ideal platform for inserting Li ions, but it is hard to be obtained due to its high surface energy. Here, the single-crystalline TiO₂(B) nanobelts from H₂Ti₃O₇ with nearly 70% {100} facets exposed are synthesized, which significantly enhances Li-storage capacity. The first-principle calculations demonstrate an ab in-plane 2D diffusion through the exposed {100} facets. As a consequence, the nanobelts can significantly accommodate Li ions in LiTiO₂ formula with specific capacity up to 335 mAh g⁻¹, which is in good agreement with the electrochemical characterizations. Coating with conductive and protective poly(3,4-ethylenedioxythiophene)-poly(styrenesulfonate), the cut-off discharge voltage is as low as 0.5 V, leading to a capacity of 160.7 mAh g⁻¹ after 1500 cycles with a retention rate of 66% at 1C. This work provides a practical strategy to increase the Li-ion capacity and cycle stability by tailoring the crystal orientation and nanostructures.     

Interface regulation effects on mechanical behavior of heterostructure Ti6Al4V/TiAl-based laminated composite sheets

Design of architectured composites with layered-ordered structure can solve the strength-toughness mismatch problem of structural materials. In the present study, heterostructure Ti6Al4V/TiAl laminated composite sheets with different thicknesses of interface layer and TiAl composite layer were successfully produced by hot-pressing technology. The effects of interface regulation and laminated structure on their mechanical properties, crack propagation, and fracture behavior were studied. The results indicated that compressive strength of the sheets increased with the decrease in interface thickness. Compressive strength of TiAl composite sheet with thicker composite layer reached 1481.55 MPa at the arrester orientation with sintering holding time of 40 min, which was 25.96% higher than that of the sheet obtained at 120 min. Analysis indicated that the interface area transferred stress through slip bands and through-interface cracks. Compressive strength at the divider orientation reached 1443.06 MPa, which was 45.78% higher than that of the sheet obtained at 120 min. In this case, the interface area transferred stress through slip bands and along-interface cracks. For TiAl composite sheets with thinner composite layer, compressive strength was further improved to 1631.01 MPa and 1594.66 MPa at the arrester and divider orientations with sintering holding time of 40 min, respectively. The ductile metal layer exerted a significant toughening effect. Both interface regulation and laminated structure transformation could enhance the hetero-deformation induced (HDI) strengthening and improve the comprehensive mechanical properties of the composite sheets.     

Sealing behaviour of glass-based composites for oxygen transport membranes

In this study, seven different filler materials in different proportions were added to a Ba-Ca-Si glass matrix “H” to investigate new sealant with higher thermal expansion coefficient (CTE) value and good sealing performance for application in oxygen transport membrane (OTM). SrTi_0.75Fe_0.25O_3-δ (STF25) was used as an OTM, and the sealing partners were ferritic steel Aluchrom and pre-oxidized Aluchrom. Compatibility tests were carried out to investigate the feasibility of the composites. Higher CTE values were found in dilatometer tests on composite samples by adding 40 wt% Ag (HAg40) and 30 wt% Ni-Cr (HNC30). Gas-tightness measurements of sandwiched samples produced appropriate helium leakage rates in the range of 10^?6 mbar·l·s^?1. Sealing behaviour of sealants HAg40 and HNC30 were investigated by joining STF25 and as-delivered/pre-oxidized Aluchrom together. Scanning electron microscopy (SEM) on cross-sections of the joints revealed a homogeneous microstructure and good adherence of the glass sealants to support metals and STF25.     

Pulsed current-driven wetting of 3YSZ by liquid Cu and its mechanisms

The wettability of 3 mol% Y₂O₃-stabilized ZrO₂ (3YSZ) by molten Cu can be greatly improved by applying pulsed currents at 1373 K. The improvement was closely related to current polarity and influenced by duty cycle and frequency. When the Cu/3YSZ interface was under cathodic condition, the wettability was mainly improved by the formation of substoichiometric ZrO_2-δ and metallic Zr at the interface. Increasing duty cycle caused the interface to change from forming protrusions to creating depression. Decreasing frequency further deepened the depression. In the opposite polarity, the adsorption and enrichment of oxygen reduced the solid-liquid and liquid-vacuum interfacial energies, thus improving the wettability. Only bubbles formed at the interface. The larger the duty cycle, the more rapidly bubbles formed and escaped. The effect of frequency at this polarity was weak. Overall, this work provides a novel and effective strategy for tailoring the wettability and interfacial chemistry between zirconia and metals.     

Engineering biphasic hybrid phosphide nanowires as efficient electrocatalyst for hydrogen evolution reaction: Experimental and theoretical insights

Development of highly efficient and cheap electrocatalysts towards the hydrogen evolution reaction (HER) is of great importance for electrochemical water splitting. Herein, hybrid Cu/NiMo-P nanowires on the copper foam were successfully fabricated via a simple two-step method. The hierarchically structured Cu/NiMo-P exhibits large surface areas and rapid electron transfer ability, leading to enhanced catalytic activity. The as-prepared Cu/NiMo-P electrodes need overpotentials of 34 mV and 130 mV to obtain 10 mA cm^?2 for HER in acidic and alkaline solutions, respectively. Density functional theory (DFT) calculations reveal that the Cu/NiMo-P hybrid has a more thermo-neutral hydrogen adsorption free energy and enhanced charge transfer ability as well.     

Multiscale insights into hydrogen charging behavior in metal hydride reactor packed with porous ZrCo particles

The primary purpose of this work is to develop a novel model for comprehensively investigating the hydrogen storage performance under the framework of diffusion of hydrogen atoms through hydride layer. The proposed model is constructed upon perfectly mathematical-physical equations, by taking into account complicated multi-scale and multi-physics coupling actions. Importantly, three-dimensional numerical simulations are performed to explore the coupling effects of micro diffusion, mesoscopic permeation, and macroscopic fluid flow. An analytical approach accounting for the characteristics of reaction bed, particle, and crystal grain is presented as well. In addition, a parametric analysis is conducted to reveal that the hydride particle dimension, particle porosity, grain size, and diffusion coefficient of reacted layer have a significant effect on overall hydrogen storage performance, highlighting that grain size and hydrogen diffusion coefficient are vital factors that need to be considered for material preparation and design.     

Enhanced and stable strontium and cobalt free A-site deficient La1-xNi0.6Fe0.4O3 (x=0, 0.02, 0.04, 0.06, 0.08) cathodes for intermediate temperature solid oxide fuel cells

Perovskite oxides with cobalt and strontium element exhibit severe degradation during the operation for the solid oxide fuel cells (SOFC). Here, we report stable non-cobalt and non-strontium La_1-xNi_0.6Fe_0.4O₃ perovskite cathodes with improved oxygen reduction reaction (ORR) activity. A-site deficient La_1-xNi_0.6Fe_0.4O₃ cathodes within 8 at.% all exhibit the invariable phase structure with LaNi_0.6Fe_0.4O₃ (LNF), and the matched thermal expansion coefficient with that of the (Ce_0.90Gd_0.10)O_1.95 (GDC) electrolyte. The polarization resistance of the La_0.94Ni_0.6Fe_0.4O₃ (LNF94) cathode is 0.61 Ω cm² at 750 °C in air, which is 1/5 of the LaNi_0.6Fe_0.4O₃ (2.78 Ω cm²). The peak power density of the corresponding single cell with LNF94 cathode is 0.37 W cm⁻² at 750 °C, which is 2.36 times higher than that of the single cell with LNF cathode (0.11 W cm⁻²). We further study the long-term stability of LNF and LNF94 cathodes, the polarization resistance of the LNF94 electrode slightly fluctuates around 0.18 Ω cm² during 50 h operation at 800 °C, while the polarization resistance of the LNF increases by about 15%. This work highlights the A-site deficient LNF as an effective and stable non-cobalt and non-strontium cathode for the intermediate temperature solid oxide fuel cells.     

On the dependence of interfacial resistance on contact materials between cathode and interconnect in solid oxide fuel cells

The dependence of interfacial contact resistance (ICR) on contact materials between cathode and interconnect is systematically studied under both isothermal oxidation and thermal cycling conditions. Three kinds of cathode current-collecting layer (CCCL) are used, (La,Sr) (Co,Fe)O₃ (LSCF), LSCF+10%Ag, and Ag, and tested in a SUS430/CCCL/SUS430 sandwich structure to simulate the actual operation of the solid oxide fuel cells (SOFCs). Experimental results show that the ICR of LSCF+10%Ag exhibits the smallest value, in comparison with the specimens with LSCF and Ag paste, as well as the sample without a CCCL. For LSCF+10%Ag contact, the ICR increases from 0.0069 mΩ cm² to 3.74 mΩ cm² under an isothermal condition for 150 h, then increases from 3.74 mΩ cm² to 10.79 mΩ cm² after 15 thermal cycles. This work provides information for the understanding of possible mechanisms of performance degradation of SOFCs.     

Iron-doped metal-organic framework with enhanced oxygen evolution reaction activity for overall water splitting

Water electrolysis is an energy conversion technology to provide green and clean hydrogen energy. Developing a high-efficient and durable electrocatalyst is a critical material for water electrolysis. Therefore, we synthesize a series of iron-doped metal-organic frameworks (MOFs) by a facile one-pot hydrothermal method. In the conventional three-electrode-cell, the Co/Fe (1:1)-MOF catalyst exhibits an overpotential of 317 mV at a current density of 10 mA cm⁻² in the oxygen evolution reaction (OER). Furthermore, the electrolysis performance of Co/Fe (1:1)-MOF catalyst is further evaluated in a home-made anion-exchange-membrane water electrolysis cell. With the Co/Fe (1:1)-MOF as the OER catalyst and commercial Pt/C as the hydrogen-evolution-reaction catalyst, the cell presents an overpotential of 490 mV at a large current density of 500 mA cm⁻², which is superior to the benchmark cell with commercial IrO₂ as the OER catalyst in the alkaline media. Theoretical calculation demonstrates that the introduction of Fe dopant into MOFs significantly reduces the binding energy of 1O and 1OOH intermedium during the OER progress. Consequently, the electrocatalytic activity is increased, which is perfectly consistent with the experimental results. This work suggests that the iron-doped MOFs structure significantly improves the electrocatalytic activity and provides a facile strategy to produce hydrogen at a large current density for industrial water electrolysis.