钨中空位及其团簇的能量学和动力学性质参数

在总结前人钨中空位及其团簇的能量学和动力学行为的研究成果基础上，采用第一性原理方法系统计算了钨中空位及其团簇的结合能和扩散能垒。研究发现，交换关联泛函PW91和PBE较PBEsol、AM05和LDA更适合用于计算钨空位的能量学性质。基于第一性原理计算结果对文献中单空位形成能、双空位作用性质等争议性问题进行了讨论，并对钨经验势进行了评估。研究结果表明，钨中孤立单空位间总是相互排斥，而空位团簇（V_n>3）对单空位具有很强的吸引作用，其结合能随着所含空位个数增多呈现波动性增大的趋势。空位团簇稳定结构可通过最小化Wigner-Seitz表面积来确定，其结合能与V_n与V_n-1之间的Wigner-Seitz面积之差呈正比。     

Capsiate Intake with Exercise Training Additively Reduces Fat Deposition in Mice on a High-Fat Diet,but Not without Exercise Training

While exercise training (ET) is an efficient strategy to manage obesity, it is recommended with a dietary plan to maximize the antiobesity functions owing to a compensational increase in energy intake. Capsiate is a notable bioactive compound for managing obesity owing to its capacity to increase energy expenditure. We aimed to examine whether the antiobesity effects of ET can be further enhanced by capsiate intake (CI) and determine its effects on resting energy expenditure and metabolic molecules. Mice were randomly divided into four groups (n = 8 per group) and fed high-fat diet. Mild-intensity treadmill ET was conducted five times/week; capsiate (10 mg/kg) was orally administered daily. After 8 weeks, resting metabolic rate and metabolic molecules were analyzed. ET with CI additively reduced the abdominal fat rate by 18% and solely upregulated beta-3-adrenoceptors in adipose tissue (p = 0.013) but did not affect the metabolic molecules in skeletal muscles. Surprisingly, CI without ET significantly increased the abdominal fat rate (p = 0.001) and reduced energy expenditure by 9%. Therefore, capsiate could be a candidate compound for maximizing the antiobesity effects of ET by upregulating beta-3-adrenoceptors in adipose tissue, but CI without ET may not be beneficial in managing obesity.     

Design of Ti4+-doped Li3V2(PO4)3/C fibers for lithium energy storage

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-LVT_7%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-LVT_7%P can be mainly ascribed to Ti⁴⁺ doping, which can increase the electrical conductivity and Li⁺ diffusion coefficient.     

Effect of Cu-Rich Phase Precipitation on the Microstructure and Mechanical Properties of CoCrNiCux Medium-Entropy Alloys Prepared via Laser Directed Energy Deposition

CoCrNiCux (x=0.16,0.33,0.75,and 1) without macro-segregation medium-entropy alloys (MEAs) was prepared using laser directed energy deposition (LDED).The microstructure and mechanical properties of CoCrNiCux alloys with increas-ing Cu content were investigated.The results indicate that a single matrix phase changes into a dual-phase structure and the tensile fracture behaviors convert from brittle to plastic pattern with increasing Cu content in CoCrNiCux alloys.In addi-tion,the tensile strength of CoCrNiCux alloys increased from 148 to 820 MPa,and the ductility increased from 1 to 11％with increasing Cu content.The nano-precipitated particles had a mean size of approximately 20 nm in the Cu-rich phase area,and a large number of neatly arranged misfit dislocations were observed at the interface between the two phases due to Cu-rich phase precipitation in the CoCrNiCu alloy.These misfit dislocations hinder the movement of dislocations during tensile deformation,as observed through transmission electron microscopy.This allows the CoCrNiCu alloy to reach the largest tensile strength and plasticity,and a new strengthening mechanism was achieved for the CoCrNiCu alloy.Moreover,twins were observed in the matrix phase after tensile fracture.Simultaneously,the dual-phase structure with different elastic moduli coordinated with each other during the deformation process,significantly improving the plasticity and strength of the CoCrNiCu alloy.     

Reconstructed Water Oxidation Electrocatalysts: The Impact of Surface Dynamics on Intrinsic Activities

Electroreduction of small molecules such as H₂O, CO₂, and N₂ for producing clean fuels or valuable chemicals provides a sustainable approach to meet the increasing global energy demands and to alleviate the concern on climate change resulting from fossil fuel consumption. On the path to implement this purpose, however, several scientific hurdles remain, one of which is the low energy efficiency due to the sluggish kinetics of the paired oxygen evolution reaction (OER). In response, it is highly desirable to synthesize high-performance and cost-effective OER electrocatalysts. Recent advances have witnessed surface reconstruction engineering as a salient tool to significantly improve the catalytic performance of OER electrocatalysts. In this review, recent progress on the reconstructed OER electrocatalysts and future opportunities are discussed. A brief introduction of the fundamentals of OER and the experimental approaches for generating and characterizing the reconstructed active sites in OER nanocatalysts are given first, followed by an expanded discussion of recent advances on the reconstructed OER electrocatalysts with improved activities, with a particular emphasis on understanding the correlation between surface dynamics and activities. Finally, a prospect for clean future energy communities harnessing surface reconstruction-promoted electrochemical water oxidation will be provided.     

A Skin-Inspired Triboelectric Nanogenerator with an Interpenetrating Structure for Motion Sensing and Energy Harvesting

Rapid advancements in wearable electronics impose the challenge on power supply devices. Herein, a flexible single-electrode triboelectric nanogenerator (SE-TENG) that enables both human motion sensing and biomechanical energy harvesting is reported. The SE-TENG is fabricated by interpenetrating Ag-coated polyethylene terephthalate (PET) nanofibers within a polydimethylsiloxane (PDMS) elastomer. The Ag coating and PDMS are performed as the electrode and dielectric material for the SE-TENG, respectively. The Ag-coated PET nanofibers enlarge the electrode surface area, which is beneficial to increase sensing sensitivity. The flexible SE-TENG sensor shows the capability of outputting alternating electrical signals with an open-circuit voltage up to 50 V and a short-circuit current up to 200 nA in response to externally applied pressure. It is used to sense various types of human motions and harvest electric energy from body motion. The harvested energy can successfully power wearable electronics, such as an electronic watch and light-emitting diode. Therefore, the as-prepared SE-TENG sensor with a pressure response and self-powered capability provides potential applications in wearable sensors or flexible electronics for personal healthcare and human–machine interfaces.     

AAOA-MBR工艺在工程中的应用分析

通过对AAOA-MBR工艺在实际工程中的应用,分析该工艺处理城市污水的节能减排效能。实践表明AAOA-MBR工艺具有很强的抗冲击负荷能力,在进水质水量大幅度波动、且碳源匮乏的情况下,仍能取得良好的处理效果。实际工程运行四年来,厂区出水各项指标均稳定优于城镇污水处理厂污染物排放标准(GB 18918-2002)中的一级A标准,其中COD、BOD₅、SS、NH₃^-N去除率分别达到可分别达到90.14%、98.25%、95.58%和98.2%;通过对运行期间污水处理量与耗电量相关关系进行回归分析可知,当处理水量达到设计规模时,其吨水耗电量预测为0.31kWh/m³。同时,基于对污水处理系统的沿程水质检测,优化进水水量分配和内循环回流比并进行产水泵联动改造,可进一步提高系统节能减排效果。     

Efficient Visible-to-UV Photon Upconversion Systems Based on CdS Nanocrystals Modified with Triplet Energy Mediators

Developing high-performance visible-to-UV photon upconversion systems based on triplet–triplet annihilation photon upconversion (TTA-UC) is highly desired, as it provides a potential approach for UV light-induced photosynthesis and photocatalysis. However, the quantum yield and spectral range of visible-to-UV TTA-UC based on nanocrystals (NCs) are still far from satisfactory. Here, three different sized CdS NCs are systematically investigated with triplet energy transfer to four mediators and four annihilators, thus substantially expanding the available materials for visible-to-UV TTA-UC. By improving the quality of CdS NCs, introducing the mediator via a direct mixing fashion, and matching the energy levels, a high TTA-UC quantum yield of 10.4% (out of a 50% maximum) is achieved in one case, which represents a record performance in TTA-UC based on NCs without doping. In another case, TTA-UC photons approaching 4 eV are observed, which is on par with the highest energies observed in optimized organic systems. Importantly, the in-depth investigation reveals that the direct mixing approach to introduce the mediator is a key factor that leads to close to unity efficiencies of triplet energy transfer, which ultimately governs the performance of NC-based TTA-UC systems. These findings provide guidelines for the design of high-performance TTA-UC systems toward solar energy harvesting.     

Bioinspired Triboelectric Soft Robot Driven by Mechanical Energy

A sustainable power source is a key technical challenge for practical applications of electrically responsive soft robots, especially the required voltage is over several thousand volts. Here, a practicable new technology, triboelectric soft robot (TESR) system with the primary characteristics of power source from mechanical energy, is developed. At its heart is TESR with bioinspired architectures made of soft-deformable body and two triboelectric adhesion feet, which is driven and accurately controlled through triboelectric effect, while reaching maximum crawling speeds of 14.9 mm s⁻¹ on the acrylic surface. The characteristics of the TESR, including displacement and force, are tested and simulated under the power of a rotary freestanding triboelectric nanogenerator (RF-TENG). Crawling of TESR is successfully realized on different materials surfaces and different angle slopes under the driven of RF-TENG. Furthermore, a real-time visual monitoring platform, in which TESR carries a micro camera to transmit images in a long narrow tunnel, is also achieved successfully, indicating that it can be used for fast diagnosis in an area inaccessible to human beings in the future. This study offers a new insight into the sustainable power source technologies suitable for electrically responsive soft robots and contributes to expanding the applicability of TENGs.