Computational studies on the radiative and nonradiative processes of luminescent N-heteroleptic platinum(II) complexes

Three N-heteroleptic Pt(II) complexes, [Pt(C^C)(O^O)] [O^O = acetylacetonate, C^C = 1-phenyl-1,2,4-triazol-5-ylidene (1), C^C = 4-phenyl-1,2,4-triazol-5-ylidene (2), C^C = 2-phenylpyrazine (3)] have been investigated with density functional theory (DFT) and time-dependent density functional theory (TDDFT). The radiative decay rate constants of complexes 1–3 have been discussed with the oscillator strength (f_n), the strength of spin–orbit coupling (SOC) interaction between the lowest energy triplet excited state (T₁) and singlet excited states (S_n), and the energy gaps between E(T₁) and E(S_n). To illustrate the nonradiative decay processes, the transition states between triplet metal-centered (³MC) and T₁ states have been optimized and were verified with the calculations of vibrational frequencies and intrinsic reaction coordinate (IRC). In addition, the minimum energy crossing points (MECPs) between ³MC and ground states (S₀) were optimized. At last, the potential energy curves relevant to the nonradiative decay pathways are simulated. The results show that complex 3 has the biggest photoluminescence quantum yield because the complex 3 has the biggest radiative decay rate constant and the smallest nonradiative decay rate constant in complexes 1–3.     

苯乳酸抑制链格孢霉作用靶位的分析

以从自然腐败的樱桃上分离的链格孢霉（Alternaria sp.）LD3.0086为指示菌，研究苯乳酸对链格孢霉的主要抑制作用靶位。应用分光光度法测定苯乳酸对链格孢霉的最小抑菌浓度，通过卡尔科弗卢尔荧光增白剂染液（calcofluor white，CFW）染色观察苯乳酸对菌丝顶端生长的破坏作用，利用扫描电子显微镜和透射电子显微镜观察链格孢霉的超微结构变化，通过测定苯乳酸作用前后链格孢霉上清液中N-乙酰葡萄糖胺质量浓度变化研究苯乳酸对菌丝细胞壁的破坏作用，应用荧光双染色法观察苯乳酸对链格孢霉菌丝细胞膜的损伤作用。结果表明，12.5 mmol/L的苯乳酸能有效抑制链格孢霉的生长；与对照组（无菌水处理）相比，苯乳酸处理后链格孢霉顶端生长细胞无明显形变，经12.5 mmol/L苯乳酸处理的链格孢霉上清液中N-乙酰葡萄糖胺质量浓度基本不变；苯乳酸处理24 h，链格孢霉菌丝细胞壁表面无明显损伤，细胞内结构发生明显变化；苯乳酸短时间（4 h）处理链格孢霉，菌丝细胞膜仍较为完整，加入苯乳酸较长时间（8 h）后细胞膜发生破裂。综合分析可知，苯乳酸对链格孢霉的主要作用靶位应不是菌丝体的细胞壁和细胞膜，而是在菌丝体内部，通过破坏菌丝内部细胞器结构或引起细胞内的生化反应，从而抑制链格孢霉的生长和繁殖，发挥抑菌活性。     

Polyaniline-based networks combined with Fe3O4 hollow spheres and carbon balls for excellent electromagnetic wave absorption

Polyaniline (PANI)-based networks combined with Fe₃O₄ hollow spheres and carbon balls (FCP) for improved electromagnetic wave (EMW) absorption were investigated using an easy-to-industrialize solvothermal and physical method. Hollow structure Fe₃O₄ spheres with a lower density than that of the common solid sphere were prepared. As a thin and light magnetic material, Fe₃O₄ hollow spheres generate magnetic loss, carbon balls and PANI networks generate dielectric loss. The magnetic and conductive parts play appropriate roles in achieving complementarity in the EMW absorption. The relatively high specific surface area introduced by PANI networks promotes interfacial polarization and further supports dielectric loss. In conclusion, the above reasons provide multiple attenuation mechanisms. Samples FCP1 (?65.109 dB, at 12.800 GHz, 1.966 mm, from 5.6 to 18.0 GHz) and FCP2 (?61.033 dB, at 8.480 GHz, 3.328 mm, from 4.3 to 18.0 GHz) demonstrated a wide bandwidth, a small thickness, a minimum reflection loss (R_L), and a low loading ratio (25%) in paraffin-based composites. Specifically, their loading ration of 25% is much lower than the loading ratio of conventional materials (usually 50% and above). In addition, the bandwidth is excessively wide, above 12 GHz, possessing good absorption performance in continuous intervals with different thicknesses. Such excellent characteristics have rarely been reported in literature.     

Corrosion behavior of under‐, peak‐, and over‐aged 6063 alloy: A comparative study

The mechanical property of age‐hardenable Al‐alloys is governed by the state of ageing, which determines the microstructure and consequently, their corrosion behavior which is a vital aspect for a number of applications. This article presents a comparative assessment of corrosion behavior of under‐, peak‐ and over‐aged Al‐Mg‐Si alloy. Corrosion characteristics have been determined via immersion tests in 0.1 M ortho‐phosphoric acid solution and intergranular corrosion (IGC) tests. Corroded surfaces are examined by field emission scanning electron micrographs‐energy dispersive spectroscopy and 3D optical profilometer. The obtained results reveal that the corrosion rate at a specific immersion time as well as the depth of IGC increases in the order for under‐, peak‐, and over‐aged states. Irrespective of the state of ageing, corrosion loss increases linearly but the rate of corrosion decreases rapidly with increasing immersion time. The dominant mode of corrosion in under‐aged alloy is identified as localized pitting, while peak‐aged is highly susceptible to IGC in contrast extensive pitting corrosion is observed for over‐aged alloy. The observed differences in corrosion behavior are explained considering characteristics of precipitates. Formation of β (Mg₂Si) in case of over‐aged alloy and presence of inclusions like AlFeMnSi particles are found to accelerate pitting corrosion.     

Maximum Data Generation Rate Routing Protocol Based on Data Flow Controlling Technology for Rechargeable Wireless Sensor Networks

For rechargeable wireless sensor networks, limited energy storage capacity, dynamic energy supply, low and dynamic duty cycles cause that it is unpractical to maintain a fixed routing path for packets delivery permanently from a source to destination in a distributed scenario. Therefore, before data delivery, a sensor has to update its waking schedule continuously and share them to its neighbors, which lead to high energy expenditure for reestablishing path links frequently and low efficiency of energy utilization for collecting packets. In this work, we propose the maximum data generation rate routing protocol based on data flow controlling technology. For a sensor, it does not share its waking schedule to its neighbors and cache any waking schedules of other sensors. Hence, the energy consumption for time synchronization, location information and waking schedule shared will be reduced significantly. The saving energy can be used for improving data collection rate. Simulation shows our scheme is efficient to improve packets generation rate in rechargeable wireless sensor networks.     

Chromium evaporation and oxidation characteristics of alumina-forming austenitic stainless steels for balance of plant applications in solid oxide fuel cells

The chromium (Cr) evaporation behavior of several different types of iron (Fe)-based AFA alloys and benchmark Cr₂O₃-forming Fe-based 310 and Ni-based 625 alloys was investigated for 500 h exposures at 800 °C to 900 °C in air with 10% H₂O. The Cr evaporation rates from alumina-forming austenitic (AFA) alloys were ~5 to 35 times lower than that of the Cr₂O₃-forming alloys depending on alloy and temperature. The Cr evaporation behavior was correlated with extensive characterization of the chemistry and microstructure of the oxide scales, which also revealed a degree of quartz tube Si contamination during the test. Long-term oxidation kinetics were also assessed at 800 to 1000 °C for up to 10,000 h in air with 10% H₂O to provide further guidance for SOFC BOP component alloy selection.     

On the capacity of the state‐dependent interference relay channel

This paper considers the state‐dependent interference relay channel (SIRC) in which one of the two users may operate as a secondary user and the relay has a noncausal access to the signals from both users. For discrete memoryless SIRC, we first establish the achievable rate region by carefully merging Han‐Kobayashi rate splitting encoding technique, superposition encoding, and Gelfand‐Pinsker encoding technique. Then, based on the achievable rate region that we derive, the capacity of the SIRC is established in many different scenarios including (a) the weak interference regime, (b) the strong interference regime, and (c) the very strong interference regime. This means that our capacity results contain all available known results in the literature. Next, the achievable rate region and the associated capacity results are also evaluated in the case of additive Gaussian noise. Additionally, many numerical examples are investigated to show the value of our theoretical derivations.     

Forging furnace with thermochemical waste-heat recuperation by natural gas reforming: Fuel saving and heat balance

This paper considers thermochemical recuperation (TCR) of waste-heat using natural gas reforming by steam and combustion products. Combustion products contain steam (H₂O), carbon dioxide (CO₂), and ballast nitrogen (N₂). Because endothermic chemical reactions take place, methane steam-dry reforming creates new synthetic fuel that contains valuable combustion components: hydrogen (H₂), carbon monoxide (CO), and unreformed methane (CH₄). There are several advantages to performing TCR in the industrial furnaces: high energy efficiency, high regeneration rate (rate of waste-heat recovery), and low emission of greenhouse gases (CO₂, NO_x). As will be shown, the use of TCR is significantly increasing the efficiency of industrial furnaces – it has been observed that TCR is capable of reducing fuel consumption by nearly 25%. Additionally, increased energy efficiency has a beneficial effect on the environment as it leads to a reduction in greenhouse gas emissions.     

High-rate capability of carbon-coated micron-sized hexagonal TT-Nb2O5 composites for lithium-ion battery

With excellent specific capacity, superior cycle stability, safety and strong practical, Nb₂O₅ has been considered as one of the prospective anode materials for lithium-ion batteries (LIBs). However, current study suggests that Nb₂O₅ electrode materials for LIBs still face the vital issues of low electrical conductivity and poor rate performance. Therefore, carbon-coated TT-Nb₂O₅ materials are designed and synthesized through solid state method in this work, which present high specific capacity (228 mA h g^?1 at 0.2C), satisfactory rate properties (107 mA h g^?1 at 20 C). The outstanding electrochemical property can not only give the credit to the pseudocapacitance effect of TT-Nb₂O₅, but also attribute to introduction of carbon. The homogeneous carbon-coated materials enhance the electrical conductivity, increase the electron transmission speed and alleviate particle crushing. This research not only offers a new method for preparing excellent electrode materials, but also provides a kind of excellent anode material with prospective application for LIBs.     

Research on the identification performance of UHF RFID system considering the correlation of cascaded channel

The identification rate of UHF RFID system was restricted by multipath propagation effects.The system identification performance was studied considering the correlation coefficient between forward and reverse channels.Based on the generalized Rician fading channel model,the analytical expression of identification rate was derived under independent,full correlation and correlation cases.Compared with the existing analysis,the proposed uniform calculation formula of identification rate was for any correlation coefficient and kinds of channel conditions.The numerical computation and Monte-carlo simulations show that the influences of different correlation coefficients,channel conditions,sensitivity and distance on the identification rate.