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1.
《International Journal of Hydrogen Energy》2022,47(2):1217-1228
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. 相似文献
2.
《International Journal of Hydrogen Energy》2022,47(99):41783-41794
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. 相似文献
3.
《International Journal of Hydrogen Energy》2022,47(78):33282-33307
‘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. 相似文献
4.
《International Journal of Hydrogen Energy》2022,47(5):2926-2935
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. 相似文献
5.
Engineering new glass compositions have experienced a sturdy tendency to move forward from (educated) trial-and-error to data- and simulation-driven strategies. In this work, we developed a computer program that combines data-driven predictive models (in this case, neural networks) with a genetic algorithm to design glass compositions with desired combinations of properties. First, we induced predictive models for the glass transition temperature (Tg) using a dataset of 45,302 compositions with 39 different chemical elements, and for the refractive index (nd) using a dataset of 41,225 compositions with 38 different chemical elements. Then, we searched for relevant glass compositions using a genetic algorithm informed by a design trend of glasses having high nd (1.7 or more) and low Tg (500 °C or less). Two candidate compositions suggested by the combined algorithms were selected and produced in the laboratory. These compositions are significantly different from those in the datasets used to induce the predictive models, showing that the used method is indeed capable of exploration. Both glasses met the constraints of the work, which supports the proposed framework. Therefore, this new tool can be immediately used for accelerating the design of new glasses. These results are a stepping stone in the pathway of machine learning-guided design of novel glasses. 相似文献
6.
《International Journal of Hydrogen Energy》2022,47(22):11472-11491
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. 相似文献
7.
乡村产业中的化石能源设备逐渐被电能技术替代,引起了乡村负荷波动增大、部分时段产生集中高负荷的问题。为了解决以上问题,将低品位清洁能源应用至乡村的茶叶生产中,针对烘茶全过程的工艺要求提出了跨临界CO2热泵烘茶技术;并以某茶叶生产乡村为对象,对其代表台区的全年日用电量及产茶日负荷进行了分析,得出采用CO2热泵烘茶后其负荷得到大幅度削减,整体可降低至原负荷的39.6%~46.8%,峰值负荷与平时负荷的比值由原本的13.6降至5.4~6.2。跨临界CO2热泵应用至农产品生产中可有效缓解乡村供电压力。 相似文献
8.
Shannon Lee Scott L. Carnahan Georgiy Akopov Philip Yox Lin-Lin Wang Aaron J. Rossini Kui Wu Kirill Kovnir 《Advanced functional materials》2021,31(16):2010293
Noncentrosymmetric (NCS) tetrel pnictides have recently generated interest as nonlinear optical (NLO) materials due to their second harmonic generation (SHG) activity and large laser damage threshold (LDT). Herein nonmetal-rich silicon phosphides RuSi4P4 and IrSi3P3 are synthesized and characterized. Their crystal structures are reinvestigated using single crystal X-ray diffraction and 29Si and 31P magic angle spinning NMR. In agreement with previous report RuSi4P4 crystallizes in NCS space group P1, while IrSi3P3 is found to crystallize in NCS space group Cm, in contrast with the previously reported space group C2. A combination of DFT calculations and diffuse reflectance measurements reveals RuSi4P4 and IrSi3P3 to be wide bandgap (Eg) semiconductors, Eg = 1.9 and 1.8 eV, respectively. RuSi4P4 and IrSi3P3 outperform the current state-of-the-art infrared SHG material, AgGaS2, both in SHG activity and laser inducer damage threshold. Due to the combination of high thermal stabilities (up to 1373 K), wide bandgaps (≈2 eV), NCS crystal structures, strong SHG responses, and large LDT values, RuSi4P4 and IrSi3P3 are promising candidates for longer wavelength NLO materials. 相似文献
9.
David Diaz Elisa Lopez-Dolado Sergio Haro Jorge Monserrat Carlos Martinez-Alonso Dimitrios Balomeros Agustín Albillos Melchor Alvarez-Mon 《International journal of molecular sciences》2021,22(2)
Our aim was to investigate the subset distribution and function of circulating monocytes, proinflammatory cytokine levels, gut barrier damage, and bacterial translocation in chronic spinal cord injury (SCI) patients. Thus, 56 SCI patients and 28 healthy donors were studied. The levels of circulating CD14+highCD16−, CD14+highCD16+, and CD14+lowCD16+ monocytes, membrane TLR2, TLR4, and TLR9, phagocytic activity, ROS generation, and intracytoplasmic TNF-α, IL-1, IL-6, and IL-10 after lipopolysaccharide (LPS) stimulation were analyzed by polychromatic flow cytometry. Serum TNF-α, IL-1, IL-6 and IL-10 levels were measured by Luminex and LPS-binding protein (LBP), intestinal fatty acid-binding protein (I-FABP) and zonulin by ELISA. SCI patients had normal monocyte counts and subset distribution. CD14+highCD16− and CD14+highCD16+ monocytes exhibited decreased TLR4, normal TLR2 and increased TLR9 expression. CD14+highCD16− monocytes had increased LPS-induced TNF-α but normal IL-1, IL-6, and IL-10 production. Monocytes exhibited defective phagocytosis but normal ROS production. Patients had enhanced serum TNF-α and IL-6 levels, normal IL-1 and IL-10 levels, and increased circulating LBP, I-FABP, and zonulin levels. Chronic SCI patients displayed impaired circulating monocyte function. These patients exhibited a systemic proinflammatory state characterized by enhanced serum TNF-α and IL-6 levels. These patients also had increased bacterial translocation and gut barrier damage. 相似文献
10.
《Ceramics International》2022,48(6):8325-8330
In this work, we propose a facile approach to fabricate Ti4+-doped Li3V2(PO4)3/C (abbreviated as C-LVTP) nanofibers using an electrospinning route followed by a high temperature treatment. In this designed nanocomposite, the ultrafine LVTP dots are homogeneously dispersed into one-dimensional carbon nanofibers and the Ti4+ doping does not destroy the crystal structure of monoclinic Li3V2(PO4)3. Compared to the undoped Li3V2(PO4)3/C (abbreviated as C-LVP), the as-fabricated C-LVTP fibers present higher reversible capacity, superior high-rate capability as well as better cyclic property. Especially, the C-LVT7%P cathode delivers not only high capacities of 187.2 and 160.3 mAh g?1 at 0.5 and 10 C respectively, but also stable cyclic property with the reversible capacity of 135.8 mAh g?1 at 20 C following 500-cycle spans. The good battery characteristics of C-LVT7%P can be mainly ascribed to Ti4+ doping, which can increase the electrical conductivity and Li+ diffusion coefficient. 相似文献