Thermomechanical stability and inelastic energy dissipation as durability criteria for fuel cell gas diffusion media with pre-assembly effects

In this article, pre-assembly hot-press pressure and thermal expansion effects in gas-diffusion layers (GDLs) are addressed to explore the practicalities of the constitutive model reported in the companion article. A facile technique is proposed to include deformation history dependent residual strain effects. The model is implemented in the numerical environment and compared with widely followed conventional models such as isotropic and orthotropic material models. With the normal and accelerated thermal expansion effects no significant variation in stresses or strains is reported with the compressible GDL model in contrast to the conventional incompressible form of the GDL model. The present work identifies the critical differences with advanced and extended variants of the model along with conventional GDL material models in terms of planar stress/strain distribution and the membrane response. Finally, the model is simulated for micro-cyclic stress loads of varying amplitudes that imitate the real working conditions of fuel cell. The inelastic energy dissipation in GDLs is predicted using the proposed model, which is utilized further to distinguish the safe (elastic) and unsafe (inelastic shakedown) operating limits. The inelastic collapse of GDLs is shown to be a active function of high amplitude micro-cyclic load with high initial clamping load.     

VO2/GaAs异质结的制备及其光电特性研究

采用直流磁控溅射和后退火氧化工艺在p型GaAs单晶衬底上成功制备了n-VO_2/pGaAs异质结,研究了不同退火温度和退火时间对VO_2/GaAs异质结性能的影响,并分析其结晶取向、化学组分、膜层质量以及光电特性。结果表明,在退火时间2 h和退火温度693 K下能得到相变性能最佳的VO_2薄膜,相变前后电阻变化约2个数量级。VO_2/GaAs异质结在308 K、318 K和328 K温度下具有较好的整流特性,对应温度下的阈值跳变电压分别为6.9 V、6.6 V和6.2 V,该结果为基于VO_2相变特性的异质结光电器件的设计与应用提供了可行性。     

Density functional theory study of the hydrogen evolution reaction in haeckelite boron nitride quantum dots

To satisfy arising energy needs and to handle the forthcoming worldwide climate transformation, the major research attention has been drawn to environmentally friendly, renewable and abundant energy resources. Hydrogen plays an ideal and significant role is such resources, due to its non-carbon based energy and production through clean energy. In this work, we have explored catalytic activity of a newly predicted haeckelite boron nitride quantum dot (haeck-BNQD), constructed from the infinite BN sheet, for its utilization in hydrogen production. Density functional theory calculations are employed to investigate geometry optimization, electronic and adsorption mechanism of haeck-BNQD using Gaussian16 package, employing the hybrid B3LYP and wB97XD functionals, along with 6–31G(d,p) basis set. A number of physical quantities such as HOMO/LUMO energies, density of states, hydrogen atom adsorption energies, Mulliken populations, Gibbs free energy, work functions, overpotentials, etc., have been computed and analysed in the context of the catalytic performance of haeck-BNQD for the hydrogen-evolution reaction (HER). Based on our calculations, we predict that the best catalytic performance will be obtained for H adsorption on top of the squares or the octagons of haeck-BNQD. We hope that our prediction of most active catalytic sites on haeck-BNQD for HER will be put to test in future experiments.     

A review of hydrogen production processes by photocatalytic water splitting – From atomistic catalysis design to optimal reactor engineering

‘Renewable energy is an essential part of our strategy of decarbonization, decentralization, as well as digitalization of energy.’ – Isabelle Kocher.Current climate, health and economic condition of our globe demands the use of renewable energy and the development of novel materials for the efficient generation, storage and transportation of renewable energy. Hydrogen has been recognised as one of the most prominent carriers and green energy source with challenging storage, enabling decarbonization. Photocatalytic H₂ (green hydrogen) production processes are targeting the intensification of separated solar energy harvesting, storage and electrolysis, conventionally yielding O₂/H₂. While catalysis is being investigated extensively, little is done on bridging the gap, related to reactor unit design, optimisation and scaling, be it that of material or of operation. Herein, metals, oxides, perovskites, nitrides, carbides, sulphides, phosphides, 2D structures and heterojunctions are compared in terms of parameters, allowing for efficiency, thermodynamics or kinetics structure–activity relationships, such as the solar-to-hydrogen (STH). Moreover, prominent pilot systems are presented summarily.     

Experimental research on combined effect of obstacle and local spraying water fog on hydrogen/air premixed explosion

In order to reveal the mechanism of water fog explosion suppression and research the combined effect of water fog and obstacle on hydrogen/air deflagration, multiple sets of experiments were set up. The results show that the instability of thermal diffusion under lean combustion conditions is the main influencing factor of hydrogen/air flame surface instability, and the existence of water fog will aggravate the hydrogen/air flame surface instability. When obstacle is not considered, 8 μm, 15 μm, 30 μm water fog can significantly reduce the flame velocity and explosion overpressure of hydrogen/air, 45 μm fine water fog plays the opposite role. When considering the relative position of the water fog release position and the obstacle, the 8 μm, 15 μm, 30 μm water fog has almost no suppression effect when released near the obstacle, but a significant suppression effect occur, when using the 45 μm water fog. In the field of theoretical research, the research results not only provide an experimental basis for the fine water fog to reduce the consequences of hydrogen explosion accidents, and the optimal diameter range used by the water fog, but also provide experimental reference for the numerical simulation of hydrogen/air explosion suppression in semi-open space, and promote the development of hydrogen explosion suppression theory. In terms of engineering applications, this study can provide a theoretical basis for the layout of fire fighting equipment in the engine room of nuclear power plants or hydrogen-powered ships.     

Motion trajectory prediction model of hydrogen leak and diffusion in a stable thermally-stratified environment

The motion trajectory of hydrogen leakage is an essential safe issue for the application of hydrogen energy. A dimensionless fast-running motion trajectory prediction model is proposed to predict the dispersion characteristics of the buoyant jet of hydrogen leakage for the accident. The impact of different leakage angles, leakage velocity and thermal stratification of ambient air on hydrogen leakage behavior was analyzed. The new developed model was verified by experimental results in literatures. Leakage hydrogen can flow upwards freely in a uniform environment. However, it shows an oscillating trajectory at a certain height in a thermally stratified environment, which is so called “locking phenomenon”. The trajectory of hydrogen leakage is upward and hydrogen gathers at the top of the space to form stratification in a uniform environment, while the hydrogen leakage shows an oscillating trajectory at a certain height in a thermal stratification environment. With the increase of Froude number Fr, it shows that the stable height and maximum height of the leakage airflow have a trend of rising first and then falling in a thermally stratified environment. The findings are expected to give guidance in real-world situations, for example, a larger Fr value and a larger temperature gradient can lead to a decrease in the stable height in the thermally stratified environment. It is found that the fitting of the stable height with different temperature gradients satisfies the power function relationship. This work is expected to be helpful for reducing hydrogen leakage accumulation and explosion risk.     

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.     

The formed surface characteristics of SiCf/SiC composite in the nanosecond pulsed laser ablation

For the advantages of high-temperature resistance, corrosion resistance and ultra-high hardness, SiC_f/SiC composite is becoming a preferred material for manufacturing aero-engine parts. However, the anisotropy and heterogeneity bring great challenges to the processing technology. In this study, a nanosecond pulsed laser is applied to process SiC_f/SiC composite, where the influence of the scanning speed and laser scanning direction to the SiC fibers on the morphology of ablated grooves is investigated. The surface characteristics after ablation and the involved chemical reaction of SiC_f/SiC are explored. The results show that the increased laser scanning speed, accompanied by the decreasing spot overlap rate, leads to the less accumulation of energy on the material surface, so the ablation effect drops. In addition, for the anisotropy of the SiC_f/SiC material, the obtained surface characteristics are closely dependent on the laser scanning direction to the SiC fibers, resulting in different groove morphology. The element composition and phase analysis of the machined surface indicate that the main deposited product is SiO₂ and the carbon substance. The results can provide preliminary technical support for controlling the machining quality of ceramic matrix composites.     

Role and prospects of green quantum dots in photoelectrochemical hydrogen generation: A review

Eco-friendly quantum dots (QDs) can be termed green QDs which stand as an attractive choice to modify the properties of known semiconductors in the direction of getting efficient photoelectrodes for solar-induced photoelectrochemical (PEC) splitting of water, due to their peculiar properties. Thus, it is of high significance to analyze their merit/demerit as an effective scaffold in PEC cell. QDs are known for their excellent optical properties however, the coupling of green QDs with semiconductor is not only useful in improving absorption characteristics but also promotes charge transfer. This review has undertaken the critical analysis on the worldwide research going on the green QDs modified photoelectrode with respect to their optical, electrical & photoelectrochemical properties, role, usefulness, efficiency, and finally the success in PEC system for hydrogen production. Various methods on the facile synthesis & sensitization techniques of green QDs available in the literature have also been discussed. Further, recent advances on the development of green QDs based photo-electrode, along with major challenges of using green QDs in this field have also been presented.