Optimizing the Optoelectronic Properties of Face-On Oriented Poly(3,4-Ethylenedioxythiophene) via Water-Assisted Oxidative Chemical Vapor Deposition

Engineering the texture and nanostructure to improve the electrical conductivity of semicrystalline conjugated polymers must address the rate-limiting step for charge carrier transport. In highly face-on orientation, the charge transport between chains within a crystallite becomes rate-limiting, which is highly sensitive to the π–π stacking distance and interchain charge transfer integral. Here, face-on oriented semicrystalline poly(3,4-ethylenedioxythiophene) (PEDOT) thin films are grown via water-assisted (W-A) oxidative chemical vapor deposition (oCVD). Combining W-A with the volatile oxidant, antimony pentachloride, yields an optimized electrical conductivity of 7520  ±  240 S cm⁻¹, a record for PEDOT thin films. Systematic control of π–π stacking distance from 3.50 Å down to 3.43 Å yields an electrical conductivity enhancement of ≈ 1140%. The highest electrical conductivity also corresponds to minimum in Urbach energy of 205 meV, indicating superior morphological order. The figure of merit for transparent conductors, σ_dc/σ_op, reaches a maximum value of 94, which is 1.9 × and 6.7 × higher than oCVD PEDOT grown without W-A and utilizing vanadium oxytrichloride and iron chloride oxidizing agents, respectively. The W-A oCVD is single-step all-dry process and provides conformal coverage, allowing direct growth on mechanical flexible, rough, and structured surfaces without the need for complex and costly transfer steps.     

Robust Diversity-based Sine-Cosine Algorithm for Optimizing Hydropower Multi-reservoir Systems

Hydropower energy generation depends on the available water resources. Therefore, planning and operation of the water resource systems are paramount tasks for energy management. Since reservoirs are one of the important components of water resources systems, extracting optimal operating policies for proper management of energy generated from these systems is an imperative step. Optimizing reservoir system operation (ORSO) is a non-linear, large-scale, and non-convex problem with a large number of constraints and decision variables. To solve ORSO problem effectively, a robust diversity-based, sine-cosine algorithm (RDB-SCA) is developed in the present study by introducing several strategies to balance the global exploration and local exploitation ability and to achieve accurate and reliable solutions. An efficient linear operation rule is coupled with the RDB-SCA to maximize the energy generation. The proposed method is then applied to a real-world, multi-reservoir system to extract optimal operational policies and, consequently, maximize the energy production. It is shown that the RDB-SCA is able to generate 24, 14, and 6% more energy than the original SCA, respectively for 2-, 3-, and 4-reservoir systems. The present findings are useful to suggest guidelines for efficient operation of hydropower multi-reservoir systems. This paper is supported by https://imanahmadianfar.com/codes.

     

Barium promoted manganese oxide catalysts in low-temperature methane catalytic combustion

In this study, a series of BaO-MnO_x mixed oxide catalysts were synthesized by the mechanochemical method and employed in lean methane catalytic combustion (MCC) at low temperatures. The synthesized catalysts were characterized by XRD, BET, TGA, FT-IR, H₂-TPR, O₂-TPD, and FESEM analyses. The results indicated that the 10 wt% BaO-MnO_x catalyst with a BET surface area of 25 m² g^?1 possessed the best catalytic performance. The higher activity of the 10 wt% BaO-MnO_x catalyst was due to the higher ability to supply oxygen through the components during the MCC process. The light-off temperature corresponding to 50% of the methane conversion was about 330 °C, which was about 50 °C lower than the pure MnO_x. Moreover, for the BaO(10)-MnO_x catalyst, the 10 and 90% of methane conversion temperatures were about 305 and 427 °C, respectively. Also, the 10 wt% BaO-MnO_x catalyst exhibited high catalytic stability under dry feed condition at 450 °C for 50 h. Furthermore, the influence of various parameters such as calcination temperature, feed ratio, GHSV, pretreatment condition, and presence of water vapor in the feedstock was studied on the catalytic performance.     

A chromium complex under water oxidation: A conversion mechanism and a comprehensive hypothesis

Water splitting toward hydrogen production is a promising method to store energy, but water oxidation is a bottleneck for water splitting. First-row transition metal complexes have been extensively used for water-oxidation reaction. However, only one chromium complex has been applied for water-oxidation reaction until now. Thus, the reinvestigation of water-oxidation reaction by this chromium complex in detail is interesting. Herein, water-oxidation reaction by the chromium complex with diphenoxy N,N′-ethylenebis(salicylimine) (SALEN) ligand is reinvestigated using scanning electron microscopy, energy dispersive spectrometry, X-ray diffraction studies, X-ray photoelectron spectroscopy, thermal gravimetric analysis, elemental analysis, Fourier-transform infrared spectroscopy, and electrochemical methods. All the experiments showed that the chromium complex is neither a catalyst nor a precatalyst for water-oxidation reaction. During OER, a relationship between first-row transition metal complexes and the related metal oxides has been proposed.     

Bi-objective optimization approaches to many-to-many hub location routing with distance balancing and hard time window

Neural Computing and Applications - This study addresses a many-to-many hub location-routing problem where the best-found locations of hubs and the best-found tours for each hub are determined with...     

Groundwater Level Simulation Using Soft Computing Methods with Emphasis on Major Meteorological Components

Water Resources Management - Precise estimation of groundwater level (GWL) might be of great importance for attaining sustainable development goals and integrated water resources management....     

Investigation of cohesive FE modeling to predict crack depth during deep-scratching on optical glasses

Optical glass scratching can induce various types of cracks, among which median cracks are extremely detrimental and penetrate deeply under the surface. Due to deep-scratching process complexity, it is challenging to devise a method to predict median crack depth. Indentation testing has been examined comprehensively in prior research works. It has been found that using the correlation between scratch and indentation testing can simplify predictive method development. In this research, a numerical method based on indentation testing is proposed to determine median crack depth during deep scratching. In the first step, an FE model is configured to simulate the indentation testing process and the Cohesive Zone Method is applied to describe median crack behavior. The cohesive parameters calibrated through experimental indentation testing are implemented in the FE scratch model, and the results are compared with the experimental scratch test results. According to the results, the FE scratch model was enhanced by mode II fracture energy and the modeled friction coefficient. The indentation and scratch experiments were conducted with BK7, F2, Fused silica, K5, Pyrex, Quartz, SF6, and SF19. The experimental results prove that the nonlinearity of the median crack depth curve correlates with K_Ic. A comparison of the experimental and numerical results demonstrates the model is virtually functional for materials with K_Ic below 1000?kPa?m^1/2. Comparisons between the current findings and other studies infer the model and experimental results are accurate and reliable.     

Preparation of hydrophobic flat sheet membranes from PVDF-HFP copolymer for enhancing the oxygen permeance in nitrogen/oxygen gas mixture

In this study, poly(vinilydene fluoride-co-hexafluoropropylene)(PVDF-HFP) was used for preparation of hydrophobic membranes using non-solvent induced phase inversion(NIPS) technique. PVDF-HFP copolymer with concentrations of 10 wt% and 12 wt% was prepared to investigate the effect of polymer concentration on pore structure,morphology, hydrophobicity and performance of prepared membranes. Besides, the use of two coagulation baths with the effects of parameters such as coagulant time, polymer type and concentration, and the amount of nonsolvent were studied. The performance of prepared membranes was evaluated based on the permeability and selectivity of oxygen and nitrogen from a gas mixture of nitrogen/oxygen under operating conditions of feed flow rate(1–5 L·min~(-1)), inlet pressure to membrane module(0.1–0.5 MPa) and temperatures between 25 and 45 °C. The results showed that the use of two coagulation baths with different compositions of distillated water and isopropanol,coagulant time, polymer type and concentration, and the amount of non-solvent additive have the most effect on pore structure, morphology, thickness, roughness and crystallinity of fabricated membranes. Porosity ranges for the three fabricated membranes were determined, where the maximum porosity was 73.889% and the minimum value was 56.837%. Also, the maximum and minimum average thicknesses of membrane were 320.85 μm and115 μm. Besides, the values of 4.7504 × 10~(-7) mol· m~(-2)· s~(-1)· Pa~(-1), 0.525 and 902.126 nm were achieved for maximum oxygen permeance, O_2/N_2 selectivity and roughness, respectively.     

Thermodynamic Phase Diagram,Half-Metallic and Optical Properties of the Zr2TiSi [111] Films Based on DFT

Silicon - Thermodynamic stability, electronic and optical properties of the Zr2TiSi compound in the bulk and its [111] films have been investigated, based on the density functional theory (DFT)...