The splitting method developed in a previous study for linear, multi – component, convection-diffusion mass transfer equations is extended to non-linear, multi-component, convection-diffusion mass transfer equations. The diffusion term is non-linear (the diffusion coefficients depend on chemical species concentrations). Theoretical results about the splitting error are presented, as well as numerical simulations for mixtures with n ≤ 5. The numerical experiments show second-order accuracy and stability for the present splitting algorithm.

The present study focuses on the synthesis, characterization, and investigation of a p-n heterojunction photocatalysis. Titanium dioxide (TiO2) can’t alone induce the photocatalytic water splitting due to its wide bandgap, which decreases its catalytic activity in the visible light. To make redshift of absorptivity for the TiO2, Nickel (Ni)-doped Graphene (rGO) supported TiO2 was synthesized. Several characterization techniques have been employed to validate the composition and the light absorption ability of the prepared photocatalysts including TEM, SEM, EDS, XRD, XPS, and UV-Vis spectroscopy. The characterization revealed successful doping of the Ni and TiO2 on the rGO nanosheet. Moreover, the UV-Vis spectroscopy indicated a significant shift of light absorption toward the visible spectrum. The photon-induced evolution of H2 was remarkably enhanced using the prepared Ni-rGO/TiO2 nanocomposite. Furthermore, the optimum ratio of rGO: TiO2: Ni in the hybrids was 10:1:4, while the higher Ni ratio would decrease the photocatalytic activity. The stability of the photocatalyst was also verified during 8 cycles of photocatalytic reactions. The kinetic study revealed the nature of the integrated reaction and the controlling step governing the reaction sequence. .

The integration of deep neural networks into sparse Synthetic Aperture Radar (SAR) imaging has been explored to enhance SAR imaging performance and reduce the system’s sampling rate. However, the scarcity of training samples and mismatches between the training data and the SAR system pose significant challenges to the method’s further development. In this paper, we propose a novel SAR imaging approach based on Deep Image Prior Powered by RED (DeepRED), enabling unsupervised SAR imaging without the need for additional training data. Initially, DeepRED is introduced as the regularization technique within the sparse SAR imaging model. Subsequently, variable splitting and the Alternating Direction Method of Multipliers (ADMM) are employed to solve the imaging model, alternately updating the magnitude and phase of the SAR image. Additionally, the SAR echo simulation operator is utilized as an observation model to enhance computational efficiency. Through simulations and real data experiments, we demonstrate that our method maintains imaging quality and system downsampling rate on par with deep neural network-based sparse SAR imaging, but without the requirement for training data.

TiO₂ nanorod as a superior nanostructure has attracted a lot of attention to exert in the photocatalytic and photoelectrocatlytic applications in recent years. Nevertheless, its practical usage is restricted by a number of limitations such as the large band gap energy, the low rate of photo-induced carriers generation and the high rate of charge carriers recombination. Therefore in this study, incorporation of TiO₂ nanorod with WO₃ is proposed as a suitable approach to overcome these defects. In this regard, WO₃-TiO₂ nanorod was constructed by a facile one pot hydrothermal method in two incessant steps and was then employed as a potent photoanode for photoelectrocatalytic hydrogen generation. The morphology, elemental compositions and optical properties were characterized by the FESEM, EDS and DRS analysis, respectively. Furthermore, voltammetry analyses were performed to assay the photoelectrochemical features of WO₃-TiO₂ nanorod. The results confirmed that the incorporation of TiO₂ nanorod with WO₃ not only significantly made the band gap energy narrower (from 3eV to 2eV), but also dramatically intensified the photocurrent density and photoconversion efficiency from 1mA.cm^-2 to 1.8mA.cm^-2 and from 0.3% to 0.45%, respectively. As a consequence of improving optical properties and photoelectrochemical features, WO₃-TiO₂ nanorod could generate 2.43 mmol H₂ during 100 min under UV irradiation, which was 1.71 times more than hydrogen generated over pure TiO₂ nanorod

Degussa P25 is a benchmark form of TiO₂ used worldwide in photocatalysis studies. Currently no such benchmark exists for co-catalysts, which are essential for many photocatalytic reactions. Here, we present the preparation of Pt nanocluster co-catalysts on TiO₂ using an unmodified commercial source and equipment that is commonly available. Transmission electron microscopy reveals that the procedure produces TiO₂ decorated with Pt atom and nanoclusters (1-5 atoms). Optical reflectance and X-ray diffraction measurements show that the procedure does not affect the TiO₂ polymorph or UV-Vis absorbance. Gas phase photocatalytic splitting of heavy water (D₂O) shows that the Pt nanocluster decorated TiO₂ outperforms Pt nanoparticle (produced by photodeposition) decorated TiO₂ in D₂ production. Pt nanoclusters, produced directly from a commercial source, with high co-catalyst activity are prime candidates to be used in benchmark photocatalytic reactions.

The properties of iterative splitting methods with serial versions have been analyzed since recent years, see [1] and [3]. We extend the iterative splitting methods to a class of parallel versions, which allow to reduce the computational time and keep the benet of the higher accuracy with each iterative step. Parallel splitting methods are nowadays important to solve large problems, which can be splitted in subproblems and computed independently with the dierent processors. We present a novel parallel iterative splitting method, which is based on the multi-splitting methods, see [2], [10] and [15]. Such a exibilisation with multisplitting methods allow to decompose large iterative splitting methods and recover the benet of their underlying waveform-relaxation (WR) methods. We discuss the convergence results of the parallel iterative splitting methods, while we could reformulate such an error to a summation of the individual WR methods. We discuss the numerical convergence of the serial and parallel iterative splitting methods and present dierent numerical applications to validate the benet of the parallel versions.

For some decades, the scientific community has been looking for alternatives to the use of fossil fuels that allow the planet's sustainable and environmentally friendly development. To do this, attempts have been made to mimic some processes that occur in nature, among which the photosystem-II stands out, which allows water splitting operating with different steps to generate oxygen and hydrogen. This research presents promising results using synthetic catalysts, which try to simulate some natural processes, and which are based on Au@ZnO-graphene compounds. These catalysts were prepared by incorporating different amounts of gold nanoparticles (1 wt.%, 3 wt.%, 5 wt.%, 10 wt.%) and graphene (1 wt.%) on the surface of synthesized zinc oxide nanowires (ZnO NWs), and zinc oxide nanoparticles (ZnO NPs), along with a commercial form (commercial ZnO) for comparison purposes. The highest amount of hydrogen (1,127 µmol/hg) was reported by ZnO NWs with a gold and graphene loadings of 10 wt.% and 1 wt.%, respectively, under irradiation at 400 nm. Quantities of 759 µmol / hg and 709 µmol / hg were obtained with catalysts based on ZnO NPs and commercial ZnO, respectively. The photocatalytic activity of all composites increased with respect to the bare semiconductors, being 2.5 times higher in ZnO NWs, 8.8 times for ZnO NPs and 7.5 times for commercial ZnO. The high photocatalytic activity of the catalysts is attributed, mainly, to the synergism between the different amount of gold and graphene incorporated, and the surface area of the composites.

Results are presented concerning the influence on the water splitting process of enantiopure tartaric acid present in bulk solution. Stainless steel and electrodeposited nickel are used as working electrode (WE) surface. The latter is obtained by electrodeposition on the two poles of a magnet. The influence and role played by the chiral compound in solution has been assessed by comparing the current values, in cyclic voltammetry (CV) experiments, recorded in the potential range at which oxygen evolution reaction (OER) occurs. In the case of tartaric acid and nickel WE a spin polarization of about 4 % is found. The use of the chiral environment (bulk solution) and ferromagnetic chiral Ni electrode allows for observing the OER at a more favourable potential: about 50 mV (i.e. a cathodic, less positive, shift of the potential at which the oxygen evolution is observed).

Hydrogen is considered as an ideal substitute to the traditional fossil fuels because of its widespread sources, high calorific value of combustion, and zero carbon emissions. The electrocatalytic water-splitting to produce hydrogen is also deemed to be the best approach, however, it is a challenge to make high-efficient and low-cost electrocatalysts. Single-atom catalysts (SACs) are considered the most promising candidate to replace the traditional noble-metal catalysts. Compared with SACs, the dual-atom catalysts (DACs) are of greater attraction including higher metal loading, more versatile active sites, and excellent catalytic activity. In the review, several general synthetic strategies and structural characterization methods of DACs are introduced, and the mechanisms of hydrogen evolution reaction (HER) and oxygen evolution reactions (OER) are discussed. The authors hope that the review has given some insights and inspiration to the researchers about DACs in electrocatalytic water-splitting.

Photocatalytic technology based on specific band structure of semiconductors offers a promising way to solve the urgent energy and environmental issues in modern society. In particular, hydrogen production from water splitting over semiconductor photocatalysts attracts great attention owing to the clean source and application of energy, which highly depends on the performance of photocatalysts. Among the various photocatalysts, TiO2 has been intensively investigated and used extensively due to its outstanding photocatalytic activity, high chemical stability, non-toxicity and low cost. However, pure TiO2 has a wide band gap of approximately 3.2 eV, which limits its photocatalytic activity for water splitting to generate hydrogen only under ultraviolet light, excluding most of the inexhaustible sunlight for human beings. Fortunately, the band gap of semiconductors can be manipulated, in which introducing oxygen defects is one of the most effective measures to narrow the band gap of titanium oxides. This review starts out by the fundamentals of photocatalytic water splitting for hydrogen production over TiO2, discusses the latest progress in this field, and summarizes the various methods and strategies to induce oxygen defects in TiO2 crystals. Then, the next section outlines the modification approaches of oxygen-deficient titanium oxide (TiO2-δ) to further improve its photocatalytic performance. Finally, a brief summary and outlook of the researches on TiO2-δ photocatalysts for water splitting to produce hydrogen were presented.

A model is proposed that describes the transfer of ions and the process of water dissociation in a system with a bipolar membrane and adjacent diffusion layers. The model considers the transfer of four types of ions: the cation and anion of salt and the products of water dissociation – hydrogen and hydroxyl ions. To describe the process of water dissociation, a model for accelerating the dissociation reaction with the participation of ionogenic groups of the membrane is adopted. The boundary value problem is solved numerically using COMSOL® Multiphysics 5.5 software. An analysis of the results of a numerical experiment shows that, at least in a symmetric electromembrane system, there is a kinetic limitation of the water dissociation process, apparently associated with the occurrence of water recombination reaction at the of the bipolar region. An interpretation of the entropy factor (β) is given as a characteristic length which shows the possibility of an ion that appeared as a result of the water dissociation reaction to be removed from the reaction zone without participating in recombination reactions.

The photocatalytic hydrogen evolution reaction (HER) by water splitting has been studied, using catalysts based on TiO2 nanowires (TiO2NWs), which were synthesized by a hydrothermal procedure. This nanomaterial was subsequently modified by incorporating different loadings of gold nanoparticles (AuNPs) on the surface, previously exfoliated MoS2 nanosheets, and CeO2 nanoparticles (CeO2NPs). These nanomaterials, as well as the different synthesized catalysts, were characterized by electron microscopy (HR-SEM and HR-TEM), XPS, XRD, Raman, Reflectance and BET surface area. HER studies were performed in aqueous solution, under irradiation at different wavelengths, which were selected through the appropriate use of optical filters. The results obtained show that there is a synergistic effect between the different nanomaterials of the catalysts. The specific area of the catalyst, and especially the increased loading of MoS2 and CeO2NPs in the catalyst substantially improved the H2 production. Recyclability studies showed only a decrease in activity of approx. 7% after 15 cycles of use, which opens many possibilities regarding the potential use and scaling of these heterostructures in photocatalytic production of H2 from water.

We propose and theoretically investigate integrated photonic filters based on coupled Sagnac loop reflectors (SLRs) formed by a self-coupled wire waveguide. By tailoring coherent mode interference in the device, three different filter functions are achieved, including Fano-like resonances, wavelength interleaving, and varied resonance mode splitting. For each function, the impact of device structural parameters is analyzed to facilitate optimized performance. Our results theoretically verify the proposed device as a compact multi-functional integrated photonic filter for flexible spectral shaping.

We present theoretical designs of high performance optical filters in integrated silicon photonic nanowire resonators. We use mode interference in formed by zig-zag waveguide coupled Sagnac loop reflectors (ZWC-SLRs), tailored to achieve diverse filtering functions with good performance. These include compact bandpass filters with improved roll-off, optical analogues of Fano resonances with ultrahigh spectral extinction ratios (ERs) and slope rates, and resonance mode splitting with high ERs and low free spectral ranges. The analysis verifies the feasibility of multi-functional integrated photonic filters based on ZWC-SLR resonators for flexible spectral engineering in diverse applications.

We theoretically investigate advanced multi-functional integrated photonic filters formed by three waveguide coupled Sagnac loop reflectors (3WC-SLRs). By tailoring the coherent mode interference, the spectral response of the 3WC-SLR resonators is engineered to achieve diverse filtering functions with high performance. These include optical analogues of Fano resonances that yield ultrahigh spectral extinction ratios (ERs) and slope rates, resonance mode splitting with high ERs and low free spectral ranges, and classical Butterworth, Bessel, Chebyshev, and elliptic filters. A detailed analysis of the impact of the structural parameters and fabrication tolerances is provided to facilitate device design and optimization. The requirements for practical applications are also considered. These results theoretically verify the effectiveness of using 3WC-SLR resonators as multi-functional integrated photonic filters for flexible spectral engineering in diverse applications.

Linear mixed models are frequently used for analysing heterogeneous data in a broad range of applications. The restricted maximum likelihood method is often preferred to estimate co-variance parameters in such models due to its unbiased estimation of the underlying variance parameters. The restricted log-likelihood function involves log determinants of a complicated co-variance matrix. An efficient statistical estimate of the underlying model parameters and quantifying the accuracy of the estimation requires the first derivatives and the second derivatives of the restricted log-likelihood function, i.e., the observed information. Standard approaches to compute the observed information and its expectation, the Fisher information, is computationally prohibitive for linear mixed models with thousands random and fixed effects. Customized algorithms are of highly demand to keep mixed models analysis scalable for increasing high-throughput heterogeneous data sets. In this paper, we explore how to leverage an averaged information splitting technique and dedicate matrix transform to significantly reduce computations and to accelerate computing. Together with a fill-in reducing multi-frontal sparse direct solver, the averaged information splitting approach improves the performance of the computation process.

Global warming and the global energy crisis are two major challenges humanity is currently confronting that are pressuring the scientific community to find efficient, low cost and environmentally sustainable solutions. Within this context, hydrogen has emerged as a clean and efficient energy carrier promising to replace the environmentally hazardous fossil fuels. The present study, of relevance to the water splitting domain, concerns the synthesis of two novel hybrid structures, based on perovskite materials functionalized with polyvinylpyrrolidone (PVP). The water electrolysis catalytic activity of these new materials was evaluated in a strongly alkaline medium. Perovskite-based modified electrodes were manufactured through four different procedures. The samples displayed electrocatalytic activity for the O2 evolution reaction and the most active electrode was the one obtained by drop-casting a mixture of LaMnO3:Ag/PVP, Carbon Black and Nafion on graphite support. The study is aimed at and succeeds in increasing the scientific database concerning the role of perovskite oxides in the water splitting field.

Optical power splitters play a crucial role as the fundamental building blocks for many integrated optical devices. They should have low losses, broad bandwidth, and a high tolerance to fabrication errors. Adiabatic optical power splitters inherently possess these qualities while being compatible with foundry processes well-suited for mass-production. The long device lengths of adiabatic power splitters, however, are a limiting factor to achieve compact device sizes, which must be reduced. Here, we use a polynomial taper profile optimization algorithm to design 1×2 and 2×2 adiabatic power splitters with significantly shorter lengths than their adiabatic counterparts. The best performing 1×2 and 2×2 power splitters have 20 μm and 16 μm coupling lengths, respectively. Our designs have minimum feature sizes ranging from 140 nm to 200 nm, and our measurements averaged across 9 different chips show excellent consistency in performance for devices with 180 nm and 200 nm minimum features. Both the 1×2 and 2×2 adiabatic optical power splitters have excess losses less than 0.7 dB over a 100 nm bandwidth, with a standard deviation lower than 0.3 dB. Furthermore, our measurements show greater than 20 dB extinction ratios over 130 nm bandwidth. We also demonstrate the design of 1×2 power splitters with arbitrary splitting ratios, where splitting ratios ranging from 50:50 to 94:6 were achieved with standard deviations between 2% and 6%.

Photoelectrocatalytic water splitting by using various TiO₂ nanostructures is a promising approach to generate hydrogen without harmful byproducts. However, their effective performance is restricted by some drawbacks such as high rapid electron-hole pair recombination and backward reaction producing H₂O. Thus in this study, the probability of enhancing hydrogen generation rate by adding methanol as a sacrificial agent to the anodic chamber of a two-compartment photoelectrochemical cell is investigated. Herein, one-dimensional elongated TiO₂ nanorods that were fabricated via a facile one-pot hydrothermal method are utilized as potent photoanode. Voltammetric characterizations confirm that addition of alcoholic sacrificial agent has a significant effect on photoelectrochemical properties of TiO₂ nanorods which by adding 10 wt% of methanol, the photocurrent density and photoconversion efficiency increased from 0.8mA.cm^-2 to 1.5mA.cm^-2 and from 0.28% to 0.45%, respectively. The results of photoelectrocatalytic water splitting indicated that the hydrogen generation rate in the presence of methanol was about 1.2 times higher than that from pure water splitting. These enhancements can be attributed to the key role of methanol. Methanol molecules not only inhibit the electron-hole pair recombination but also accelerate the hydrogen generation rate by sharing their hydrogen atoms.

In theory and applications, it is often inevitable to work with projectors onto convex sets, where a linear transform is involved. In this article, a novel projector is presented, which generalizes previous results in that it admits a broader family of linear transforms, but on the other hand it is limited to box-type convex sets in the transformed domain. The new projector has an explicit formula and it can be interpreted within the framework of proximal optimization. The benefit of the new projector is demonstrated on an example from signal processing, where it was possible to speed up the convergence of a signal declipping algorithm by a factor of more than two.

The straightness error of guideway is one of the key indicators of ultra-precision machine, which plays an important role in the machining accuracy of work-piece. In order to measure straightness error of long distance ultra-precision guideway accurately, a splicing measurement for straightness error of guideway using high-precision flat mirror and displacement sensor was proposed in this paper, and the data splicing processing algorithm based on coordinate transformation was studied. Then comparative experiments on splicing measurement and direct measurement of straightness error were carried out on a hydrostatic guideway grinder. The maximum difference between the two measurements was about 0.3μm, which was far less than the straightness error of 5.8μm. The experiment demonstrated the correctness of the proposed splicing measurement method and data processing algorithm. To suppress the influence of straightness error on machining accuracy, a straightness error compensation algorithm based on error rotation transformation and vertical axis position correction was proposed, and the grinding experiment of a plane optics with size of 1400mm×500mm was carried out, whose flatness error after grinding was about 2.98μm. The straightness error of the grinding machine had been well suppressed.

For efficient electrode development in an electrolysis system, Fe₂O₃, MnO, and heterojunction Fe₂O₃-MnO materials were synthesized via a simple sol-gel method. These particles were coated on a Ni-foam electrode, and the resulting material was used as an electrode to be used during an oxygen evolution reaction (OER). A 1000-cycle OER test in a KOH alkaline electrolyte indicated that the heterojunction Fe₂O₃-MnO/NF electrode exhibited the most stable and highest OER activity: it exhibited a low overvoltage (n) of 370 mV and a small Tafel slope of 66 mV/dec. X-ray photoelectron spectroscopy indicated that the excellent redox performance contributed to the synergy of Mn and Fe, which enhanced the OER performance of the Fe₂O₃-MnO/NF electrode. Furthermore, the effective redox reaction of Mn and Fe indicated that the structure maintained stability even under 1000 repeated OER cycles.

In this study, the pristine MgO, MgO/CNT and Ni-MgO/CNT nanocomposites were processed by the impregnation and chemical vapour deposition methods and analyzed for hydrogen evolution (HER) via electrochemical water splitting process. Furthermore, effect of nickel on the deposited carbon was systematically elaborated in this study. The highly conductive carbon nanotubes (CNTs) deposited on the metal surface of the Ni-MgO nanocomposite heterostructure provides the robust stability and superior electrocatalytic activity. The optimized Ni-MgO/CNT nanocomposite exhibited hierarchical helical-shaped carbon nanotubes adorned on the surface of the Ni-MgO flakes, forming a hybrid metal-carbon network structure. The HER catalytic reaction was carried out in 1M alkaline KOH electrolyte, and the optimized Ni-MgO/CNT nanocomposite achieves the low 117 mV overpotential value (ɳ) at the 10 mA cm-2 and needs low 116 mV/dec Tafel value denoted Volmer-Heyrovsky pathway. Also, high electrochemical active surface area (ECSA) value of Ni-MgO/CNT nanocomposite acquires 515 cm2, which is favorable for the generation of abundant electro-active species and the prepared electrocatalyst durability was also performed by chronoamperometry test for prolonged duration of 20 h at 10 mA cm-2 and exhibits the good stability with 72% retention. Hence, obtained results demonstrated that the optimized Ni-MgO/CNT nanocomposite is highly active and cost-effective electrocatalyst towards hydrogen energy production.

A mixture of nonlabeled (14N2H4) and 15N labeled hydrazine (15N2H4) in an aqueous solution is oxidized to 15N2, 14N2, and 14N15N molecules, indicating the intermediate existence of the 14NH2-14NH-15NH-15NH2 with subsequent hydrogen transfers and splitting of side N-N bonds. Structures, thermodynamics, and electron characteristics of various N4H6 molecules in aqueous solutions are investigated using theoretical treatment at the CCSD/cc-pVTZ level of theory to explain the crucial part of the hydrazine oxidation reaction. Most N4H6 structures in aqueous solutions are decomposed during geometry optimization. Splitting the bond between central nitrogen atoms is the most frequent, but the breakaway of the side nitrogen is energetically the most preferred. The N-N fissions are enabled by suitable hydrogen rearrangements. Gibbs free energy data indicate the dominant abundance of NH3... N2... NH3 species. The side N atoms have very high negative charges, which should support hydrogen transfers in aqueous solutions. The only stable cyclo-(NH)4…H2 structure has a too high Gibbs energy and breaks the H2 molecule. The remaining initial cyclic structures are split into hydrazine and HN≡NH or H2N≡N species, and their relative abundance in aqueous solutions is vanishing.

A sustainable, scalable source of energy‐dense chemical fuel is urgently needed to ensure the security of our energy supply for future generations. Solar energy is the only renewable energy source of sufficient scale to replace fossil fuels and meet rising environmental demand. Hydrogen is expected to play a key role as an energy carrier in future energy systems of the world. As fossil fuel supplies become scarcer and environmental concerns increase, hydrogen is likely to become an increasingly important chemical energy carrier and eventually may become the principal chemical energy carrier. When most of the world’s energy sources become non-fossil based, hydrogen and electricity are expected to be the two dominant energy carriers for the provision of end-use services. Photocatalytic hydrogen evolution from water by solar energy over semiconductors offers a promising way for clean and renewable production of hydrogen. The TiO2-based materials have received considerable attention in recent years due to their extensive application in photocatalysis for hydrogen evolution. Though TiO2 is the most widely investigated photocatalyst for hydrogen evolution, it still provides low photocatalytic activity due to the wide bandgap that results in photocatalytic activity only under ultraviolet (UV) irradiation. Modification of TiO2 photocatalysts with several transition metals has been extensively studied to extend the absorbance capacity of TiO2 into the visible range. The effect of different photocatalytic deposition and reaction parameters also play major roles in enhancing the photostability of photoanode and increasing the hydrogen gas output, respectively.

Due to increasing concerns about global warming and energy crisis, intensive efforts have been made to explore renewable and clean energy sources. Single-atom metals and two-dimensional (2D) nanomaterials have attracted extensive attention in the fields of energy and environment because of their unique electronic structures and excellent properties. In this review, we sum-marize the state-of-art progress on the single-atom metal supported at 2D MoS2 (single-atom metal/2D MoS2) for electrochemical CO2 reduction and water splitting. First, we introduce the advantages of single-atom metal/2D MoS2 catalysts in the fields of electrocatalytic CO2 reduction and water splitting, followed by the strategies for improving electrocatalytic performances of single-atom metal/2D MoS2 hybrid nanomaterials and the typical preparation methods. Further, we discuss the important applications of the nanocomposites in electrocatalytic CO2 reduction and water splitting via some typical examples, particularly focusing on their synthesis routes, modification approaches, and physiochemical mechanisms for improving their electrocatalytic performances. Finally, our perspectives on the key challenges and future directions of exploring high-performance metal single-atom catalysts are presented based on recent achievements in the development of single-atom metal/2D MoS2 hybrid nanomaterials.

Water splitting technology is an efficient approach to generate hydrogen (H2) energy, which can well address the problems of environmental deterioration and energy shortage, as well as establishment of a clean and sustainable hydrogen economy powered by renewable energy sources due to the green reaction of H2 with O2. While the efficiency of H2 production by water splitting technology is intimately related with the reactions on electrode. Nowadays, the efficient electrocatalysts in water splitting reactions are the precious metal-based materials, i.e., Pt/C, RuO2 and IrO2. Ni (Co, Fe)-based layered double hydroxides (LDH) 2D materials are the typical non-precious metal-based materials in water splitting with advantages of low cost, excellent electrocatalytic performance and simple preparation methods, which exhibits a great potential for the substitution for precious metal-based materials. This review summarizes the recent progress of Ni (Co, Fe)-based LDH 2D materials for water splitting, which mainly focuses on discussing and analyzing the different strategies to modify LDH materials towards high electrocatalytic performance. We also discuss the recent achievements including their electronic structure, electrocatalytic performance, catalytic center, preparation process and catalytic mechanism. Furthermore, the characterization progress in revealing electronic structure and catalytic mechanism of LDH is highlighted in this review. Finally, we put forward some future perspectives related to design and explore advanced LDH catalysts in water splitting.

Clean production of renewable fuels is a great challenge of our scientific community. Iridium complexes have demonstrated a superior catalytic activity in the water oxidation (WO) reaction, which is a crucial step in water splitting process. Herein we have used a defective zirconium MOF with UiO-66 structure as support of a highly active Ir complex based on EDTA with formula [Ir(HEDTA)Cl]Na. The defects are induced by the partial substitution of tereftalic acid with smaller formiate groups. Anchoring of the complex occurs through a post-synthetic exchange of formiate anions, coordinated at the zirconium clusters of the MOF, with the free carboxylate group of the [Ir(HEDTA)Cl]-complex. The modified material was tested as heterogenous catalyst for the WO reaction by using Cerium Ammonium Nitrate as sacrificial agent. Although TOF and TON values are comparable to those of other iridium heterogenized catalysts, the MOF exhibits iridium leaching not limited at the first catalytic run, as usually observed, suggesting a lack of stability of the hybrid system under strong oxidative conditions.

Looking at different operating climatic conditions, the electrical behavior predicting photovoltaic modules gets very important. For the estimation of output power from photovoltaic (PV) plants this is a very essential and basic aspect. In this paper, the relationship between the I-V curve and the irradiation spectrum is discussed by combining the single diode model. An explicit elementary analytical model with two defined shape parameters is discussed and improved with three approximations and second order Taylor expansion. Then, the explicit elementary analytical model is investigated under varying conditions leveraging the four parameters I_ph, I₀, R_s and R_sh from the single diode model. The relationship between the physical parameters and the condition parameters are discussed and applied to extract the shape parameters at different scenarios. Considering the aging effect, the process of calculation to predict the I-V curve under different splitting spectra is simplified as follow: (1) two shape parameters are gotten from the I-V data at measurement reference conditions (MRC); (2) the short circuit current, open circuit voltage and shape parameters under any splitting spectrum can be calculated based on the relationship provided in article; (3) the performance of PV panel can be predicted with parameters. The validation of this model was experimentally proven leveraging monocrystalline silicon photovoltaic module with different splitting films. Results showed that the model accurately predicts the I-V characteristics for the examined PV modules at different irradiance spectra and cell temperatures. Moreover, the presented model performs superior compared to other investigated models when looking at accuracy and simplicity.

Fracture density, a critical parameter of unconventional reservoirs, can be used to evaluate potential of unconventional reservoirs and location of production wells. Many technologies, such as amplitude variation with offset and azimuth (AVOA) technology, vertical seismic profiling (VSP) technology, and multicomponent seismic technology, are generally used to predict fracture of reservoirs. they can qualitatively predict fracture by analyzing seismic attributes, including seismic wave amplitudes, seismic wave velocities, which are sensitive to fracture. However, it is important to quantitatively describe fracture of reservoirs. In this study, based on a double-layer model, the relationships between fracture density and the double-layer model’s physical parameters, such as velocity of fast shear-wave, velocity of slow shear-wave, and density, were established, and then a powerful quantitative prediction method for fracture density was proposed dramatically. Afterwards, the Hudson model for crack was used to test the applicability of the method. The result shown that the quantitative prediction method for fracture density can be applied suitable to the Hudson model for crack. Finally, the result of validation models indicated that the method can predict fracture density effective, in which absolute relative deviation (ARD) were less than 5% and root-mean-square error (RMSE) was 4.88×10-3.

We describe the direct formation of mixed-phase (1T and 2H) MoS2 layers on Si as a photocathode via atomic layer deposition (ALD) for application in the photoelectrochemical (PEC) reduction of water to hydrogen. Without typical series-metal interfaces between Si and MoS2, our p-Si/SiOx/MoS2 photocathode showed efficient and stable operation in hydrogen evolution reactions (HERs). The resulting performance could be explained by spatially genuine device architectures in three dimensions (that is, laterally homo and vertically heterojunction structures). The ALD-grown MoS2 overlayer with the mixed-phase 1T and 2H homojunction passivates light absorber and surface states and functions as a monolithic structure for effective charge transport within MoS2. It is also beneficial in the operation of p-i-n heterojunctions with inhomogeneous barrier heights due to the presence of mixed-phase cocatalysts. The effective barrier heights reached up to 0.8 eV with optimized MoS2 thicknesses, leading to a 670 mV photovoltage enhancement without employing buried Si p-n junctions. The fast-transient behaviors via light illumination show that the mixed-phase layered chalcogenides can serve as efficient cocatalysts by depinning the Fermi levels at the interfaces. A long-term operation of ~ 70 h was also demonstrated in a 0.5 M H2SO4 solution.

This study focuses on the modification of ion-exchange membranes by incorporating phosphorylated dendrimer into sulfonated polytetrafluoroethylene membranes to enhance specific selectivity between mono-/divalent ions, using the Ca2+/Na+ pair as an example. The research employs mechanical, physico-chemical, and electrochemical analyses to explore the effects of P-H20 incorporation on membrane properties. Bulk modification significantly increases membrane selectivity towards calcium ions (specific permselectivity coefficient rises from 1.5 to 7.2), while maintaining the same level of the limiting current density. Other findings indicate that bulk modification significantly changes the transport-channel structure of the membrane and alters the mechanism of over-limiting mass transfer. The over-limiting current for the pristine membrane is mainly due to non-equilibrium electroconvection, while modified membranes actively participate in the water-splitting reaction, leading to the suppression of the electroconvection. Despite this drawback, the decrease of the over-limiting potential drop results in a decrease in specific energy consumption from 0.11 to 0.07 kWh/mol. In the under-limiting current mode, the specific energy consumption for all studied membranes remains within the same limits of 0.02-0.03 kWh/mol.

Functional dependence of the axial zero-field splitting parameter D with respect to a properly chosen geometrical parameter (Dstr) in metal complexes is termed the Magnetostructural D-Correlation. In mononuclear hexacoordinate Ni(II) complexes with the ground electronic term 3B1g (3A2g in the regular octahedron) it proceeds along two intercepting straight lines allowing to predict the sign and magnitude of the D-parameter by knowing the X-ray structure alone; Dstr is constructed from the metal-ligand bond lengths. In hexacoordinate Co(II) complexes it is applicable only in the segment of the compressed bipyramid where the ground electronic term 4B1g is orbitally non-degenerate so that the spin Hamiltonian formalism holds true. The D vs Dstr correlation is strongly non-linear and it is represented by a set of decreasing exponentials. In tetracoordinate Co(II) complexes, on the contrary, the angular distortion from the regular tetrahedron is crucial so that the appropriate structural parameter Dstr is constructed of bond angles. All of these empirical correlations originate in the electronic structure of metal complexes that can be modelled by the generalized crystal-field theory. As the barrier to spin reversal in the single-molecule magnets is proportional to the D-value, for a rational tuning and/or prediction of the single-molecule magnetic behavior knowledge/prediction of the D-parameter is beneficial. In this review, we present the statistical processing of an extensive set of structural and magnetic data of Co(II) and Ni(II) complexes, which were published over the past 15 years. Magnetostructural D-correlations defined for this data set are reviewed in detail.

Symbolic pole/zero analysis is an important step when designing an analog operational amplifier. Generally, a simplified symbolic analysis of analog circuits suffers from NP-hardness, i.e., an exponential growth of the number of symbolic terms of the transfer function with the circuit size. In this study, we present a mathematical model combined with a heuristic-metaheuristic solution method for the symbolic pole/zero simplification in operational transconductance amplifiers (OTA). At first, the circuit is symbolically solved and an improved root splitting method is applied to extract symbolic poles/zeroes from the exact expanded transfer function. Then, a hybrid algorithm based on heuristic information and a metaheuristic technique using simulated annealing is performed for the simplification of the derived symbolic pole/zero expressions. The developed method has been tested on three analog OTAs. The obtained results show the effectiveness of the proposed method to achieve accurate simplified symbolic pole/zero expressions with the least complexity.

We study strong optical coupling of metal nanoparticle arrays with dielectric substrates. Based on the Fermi Golden Rule, the particle-substrate coupling is derived in terms of the photon absorption probability assuming a local dipole field. An increase in photocurrent gain is achieved through the optical coupling. In addition, we describe light-induced, mesoscopic electron dynamics via the nonlocal hydrodynamic theory of charges. At small nanoparticle size (<20nm), the impact of this type of spatial dispersion becomes sizable. Both absorption and scattering cross section of the nanoparticle are significantly increased through the contribution of additional nonlocal modes. We observe a splitting of local optical modes spanning several tenths of nanometers. This is a signature of semi-classical, strong optical coupling via the dynamic Stark effect, known as Autler-Townes splitting. The photocurrent generated in this description is increased by up to 2%, which agrees better with recent experiments than compared to identical classical setups with up to 6%. Both, the expressions derived for the particle-substrate coupling and the additional hydrodynamic equation for electrons are integrated into COMSOL for our simulations.

Intercalation of noble metals can produce giant Rashba-type spin-orbit splittings in graphene. The spin-orbit splitting more than 100 meV has not yet been achieved in graphene on a metallic or a semiconductor substrate. Here, we report the p-type graphene obtained by Pt intercalation of zero-layer graphene on SiC substrate. The spin splitting of ∼200 meV was observed at a wide range of binding energies. Comparing the results of theoretical studies of different models with the experimantal ones measured by spin-ARPES, XPS and STM methods, we came to the conclusion that inducing giant spin-orbit splitting requires not only a fairly close arrangement of graphene to Pt layer, but also the presence of graphene corrugation caused by non-flat Pt layer. This makes it possible to find a compromise between strong hybridization and increased spin-orbit interaction. In our case, this is achieved by forming Pt submonolayer ordered on a nanometer scale under graphene.

This paper studies a multihop amplify-and-forward (AF) simultaneous wireless information and power transfer (SWIPT) relaying system. Each relaying node harvests energy using power splitting (PS) scheme from a part of its received signal to amplify and forward the rest the received signal to the next relay. Based on this system model and signal flow, we derived and solved the convex energy minimization problem with optimal PS ratio. The influence of processing cost was then investigated for the AF-SWIPT system with the decode-and-forward SWIPT as benchmark, where AF-SWIPT was found to be superior.

The western Sulige gas field is a new and key reserve area for the rolling development of the Sulige gas field in China. However, due to the complex gas–water relationship and the difficulty in identifying gas and water formation, the scale and benefit deployment of the gas field are seriously restricted. In particular, almost all of the wells in the area produce water and no water measurement has been carried out for any single well, which leads to an unclear understanding of the dynamic characteristics of the production wells, thus affecting the productivity calculations of the gas wells and the overall regional productivity evaluation. Based on the testing data for a gas well, the impacts of the reservoir property parameters on the gas and water production were analyzed by combining the production performance and static geological characteristics. It was determined that the physical parameters K, Kh, and φSg had good positive correlations with gas production but not with water production; thus, effective prediction cannot be obtained for water production in gas well testing. After the analysis of the liquid loading law, the gas wells were classified into three types: continuous liquid carrying production, slight liquid loading, and liquid loading wells. In general, up to 96% of the gas wells were liquid loaded. According to the different production performances exhibited in the different stages of the gas wells, five types of methods for diagnosing water production wells were proposed (gas testing, pilot production, gas–liquid two-phase measurement testing, liquid level detection, and production performance analysis), as well as the diagnostic criteria and corresponding solutions. To obtain real-time water production data for each well and investigate the change of water-gas ratio (WGR) during the whole production process, a water production splitting method for gas wells based on three-dimensional geological modeling and numerical simulation combined with the constraints of the total water production of gas gathering stations was explored and established. The splitting results can be used to evaluate the water and gas productivity of gas wells and determine the best deliquification period. The gas well productivity when water production was considered was about 10% lower than that when water production was not considered. The best deliquification period was determined to be 125 days for wells with small water production, 20 days for wells with moderate water production, and 3 days for wells with serious water production. The results of this study could provide technical support for the scientific evaluation of gas well production indicators, reduction of development costs, and improvement of oil recovery.

Long unpunctuated texts containing complex linguistic sentences are a stumbling block to processing any low-resource languages. Thus, approaches that attempt to segment lengthy texts with no proper punctuation into simple candidate sentences are a vitally important preprocessing task in many hard-to-solve NLP applications. In this paper, we propose (PDTS) a punctuation detection approach for segmenting Arabic text, built on top of a multilingual BERT-based model and some generic linguistic rules. Furthermore, we showcase how PDTS can be effectively employed as a text tokenizer for unpunctuated documents (i.e., mimicking the transcribed audio-to-text documents). Experimental findings across two evaluation protocols (involving an ablation study and a human-based judgment) demonstrate that PDTS is practically effective in both performance quality and computational cost.

Water electrolysis provides efficient and cost-effective production of hydrogen from renewable energy. Currently, the oxidation half-cell reaction relies on noble-metal catalysts, impeding widespread application. In order to adopt water electrolyzers as the main hydrogen production systems, it is critical to develop inexpensive and earth-abundant catalysts. This review discusses the proton exchange membrane (PEM) water electrolysis (WE) and the progress in replacing the noble-metal catalysts with earth-abundant ones. Researchers within this field are aiming to improve the efficiency and stability of earth-abundant catalysts (EACs), as well as to discover new ones. The latter is particularly important for the oxygen evolution reaction (OER) under acidic media, where the only stable and efficient catalysts are noble-metal oxides, such as IrO_x and RuO_x. On the other hand, there is significant progress on EACs for the hydrogen evolution reaction (HER) in acidic conditions, but how many of these EACs have been used in PEM WEs and tested under realistic conditions? What is the current status on the development of EACs for the OER? These are the two main questions this review addresses.

Paving blocks are concrete pieces placed in exposed places to the weather, which are sub-jected to loads and wear. Hence, quality control in the manufacture of paving blocks is es-sential to guarantee the properties and durability of the product in construction projects. In Ecuador, the requirements are described in the Ecuadorian technical standard "NTE INEN 3040", and tensile splitting strength is a fundamental requirement to guarantee product quality. It is analyzed using quality control measurements such as dimensions, the weight of the fresh paving block in the vibro-compacted process, and the percentage of water absorption in order to know how the variables influence and manage to predict the tensile splitting strength to avoid product non-conformity in advance, having a timely and better control of the manufacturing process. The data was obtained from a company that can produce 30 000 units per day of rectangular paving blocks with 6 cm thickness. Mul-tivariate models such as multiple linear regression, regression trees, random forests and neural networks are performed to predict the tensile splitting strength variable through two groups of predictors; the first group is the thickness mm, width mm, length mm, mass of fresh paving block g and percentage of water absorption %. The second group of pre-dictor variables is the density of the fresh paving block kg/m3 and the percentage of water absorption %. It is concluded that the multiple linear regression method performs better in predicting the first group of predictor variables with a mean square error (MSE) of 0.110086, followed by the neural network without hidden layers resulting in an MSE of 0.112198. The best method for the second set of predictors was the neural network with-out hidden layers with a mean square error ( MSE ) of 0.112402, closely followed by the multiple linear regression model with an MSE of 0.115044.

We present an overview over eight brightly luminescent Cu(I) dimers of the type Cu2X2(PN)3 with X = Cl, Br, I and P^N = 2-diphenylphosphino-pyridine (Ph2Ppy), 2-diphenylphosphino-pyrimidine (Ph2Ppym), 1-diphenylphosphino-isoquinoline (Ph2Piqn) including three new crystal structures (Cu2Br2(Ph2Ppy)3, 1-Br, Cu2I2(Ph2Ppym)3, 2-I, and Cu2I2(Ph2Piqn)3, 3-I). However, we mainly focus on their photo-luminescence properties. All compounds exhibit combined thermally activated delayed fluorescence (TADF) and phosphorescence at ambient temperature. Emission color, decay time, and quantum yield varies over large ranges. For deeper characterization, we select Cu2I2(Ph2Ppy)3, 1-I, showing a quantum yield of 81 %. DFT and SOC-TDDFT calculations provide insight into the electronic structures of the singlet S1 and triplet T1 states. Both stem from metal+iodide-to-ligand charge transfer transitions. Evaluation of the emission decay dynamics, measured from 1.2 ≤ T ≤ 300 K, gives ∆E(S1-T1) = 380 cm-1 (47 meV), a transition rate of k(S1→S0) = 2.25×106 s-1 (445 ns), T1 zero-field splittings, transition rates from the triplet substates, and spin-lattice relaxation times. We also discuss the interplay of S1-TADF and T1-phosphorescence. The combined emission paths shorten the overall decay time. For OLED applications, utilization of both singlet and triplet harvesting can be highly favorable for improvement of the device performance.