类 ITER 偏滤器瓦片表面热流沉积的粒子模拟

使用热侵蚀沉积粒子程序(HEDPIC)模拟了由小块沿环向表面倾斜的瓦片组成类 ITER 偏滤器的极向 缝隙附近瓦片表面的热流密度分布，研究了不同倾斜高度对热流密度分布的影响。研究结果表明，当瓦片设置成 合适的倾斜角度时，瓦片上表面靠近缝隙附近的电子热通量为零；离子热流密度小于上表面远离缝隙的热流密度， 棱边处热流密度过高的问题得到解决。      

Nickel tetrathiooxalate as a cathode material for potassium batteries

We report a nickel tetrathiooxalate (NiTTO) coordination polymer as a cathode material for potassium batteries. In a potential range of 1.3–3.6 V vs. K⁺/K, the specific capacity of the material is 209 mA h g^?1 at a current density of 0.1 A g^?1, which roughly corresponds to the two-electron reduction of polymer repeating units. The charge–discharge mechanisms of NiTTO in potassium cells were examined using operando Raman spectroscopy.     

Design of Functional Carbon Composite Materials for Energy Conversion and Storage

The carbon composite materials have been a research hotspot in the fields of catalysis, energy conversion and so on, because of their features of large structure and morphology variety, good chemical and electrochemical stability, and high electronic conductivity, large specific surface area and rich active sites. This paper summarizes some research progress of carbon composite materials, including assembly methodologies, their structure regulation, properties, and related applications. Moreover, the current challenges and the prospects of these materials are also discussed.     

Visible-Light Augmented Lithium Storage Capacity in a Ruthenium(II) Photosensitizer Conjugated with a Dione-Catechol Redox Couple

Controlling redox activity of judiciously appended redox units on a photo-sensitive molecular core is an effective strategy for visible light energy harvesting and storage. The first example of a photosensitizer - electron donor coordination compound in which the photoinduced electron transfer step is used for light to electrical energy conversion and storage is reported. A photo-responsive Ru-diimine module conjugated with redox-active catechol groups in [Ru(II)(phenanthroline-5,6-diolate)₃]⁴⁻ photosensitizer can mediate photoinduced catechol to dione oxidation in the presence of a sacrificial electron acceptor or at the surface of an electrode. Under potentiostatic condition, visible light triggered current density enhancement confirmed the light harvesting ability of this photosensitizer. Upon implementation in galvanostatic charge-discharge of a Li battery configuration, the storage capacity was found to be increased by 100 %, under 470 nm illumination with output power of 4.0 mW/cm⁻². This proof-of-concept molecular system marks an important milestone towards a new generation of molecular photo-rechargeable materials.     

Design,synthesis and evaluation of novel dehydroabietic acid-dithiocarbamate hybrids as potential multi-targeted compounds for tumor cytotoxicity

In the present study, novel representatives of the important group of biologically-active, dehydroabietic acid-bearing dithiocarbamate moiety, were synthesized and characterized by ¹H NMR, ¹³C NMR, HR-MS. The in vitro antiproliferative activity evaluation (MTT) indicated that these compounds exhibited potent inhibitory activities in various cancer cell lines (HepG-2, MCF-7, HeLa, T-24, MGC-803). Particularly, compound III-b possessed extraordinary cytotoxicity with low micromolar IC₅₀ values ranging from 4.07 to 38.84 µM against tested cancer cell lines, while displayed weak cytotoxicity on two normal cell lines (LO-2 and HEK 293 T). Subsequently, the potential mechanisms of representative compound III-b were elementarily investigated by Transwell experiment, which showed III-b can inhibit cancer cells migration. Annexin-V/PI dual staining showed that the compound can induce HepG-2 cells apoptosis in a dose-dependent manner. Meanwhile this apoptosis may be related to the upregulated protein expression of cleaved-caspase 3, cleaved-caspase 9, Bax and downregulated of Bcl-2 indicated by Western Blot. Later study further confirmed that ROS levels in HepG-2 cells increased significantly with the rise of concentrations. In addition, through the network pharmacology data analyzing, the core targets and signaling pathways of compound III-b for treatment of liver neoplasms were forecasted. Molecular docking model showed that compound III-b had high affinity with hub targets (CASP3, EGFR, HSP90AA1, MAPK1, ERBB2, MDM2), suggesting that compound III-b might target the hub protein to modulate signaling activity. Taken together, these data indicated that dehydroabietic acid structural modification following the “Molecular hybridization” principle is a feasible way to discover the potential multi-targeted antitumor compounds.     

Interactions of Hydrogen with Pd@MOF Composites

Physisorption and chemisorption of hydrogen on solid-state materials are two fundamentally different interactions, both of which display advantages and drawbacks for hydrogen storage. It has been hypothesised that their combination by merging two classes of materials showing different sorption behaviour towards hydrogen in the same composite may synergistically combine their desirable properties. As representatives of such composites, palladium nanoparticles, nanoclusters, and single atoms have been encapsulated in a metal-organic framework matrix, embedded, or immobilised in its pores, respectively. In this minireview, we review advances on the understanding and potential applications of the combination of Pd with metal-organic framework matrices through the analysis of the nanocomposite materials’ interaction with hydrogen and sorption properties.     

Computational modeling of heat transfer and sintering behavior during direct metal laser sintering of AlSi10Mg alloy powder

Direct Metal Laser Sintering (DMLS) is one of the leading additive manufacturing processes, which produces complex metallic parts directly from the powder. One of the major problems of this rapid manufacturing process is an inhomogeneous temperature distribution, which leads to residual stress in the build part. Thus, temperature analyses must be performed, to better understand the temperature distribution and sintering behavior of the powder bed with a different laser recipe. In this study, a comprehensive three-dimensional numerical model was developed to understand the temperature distribution during direct metal laser sintering of AlSi10Mg alloy powder. The computer simulation was carried out in ANSYS 17.0 platform. Further, the effect of process parameters such as laser power and scan speed on the temperature distribution and sintering behavior were studied. From the simulation results, it was found that, when the laser power increased from 70 W to 190 W, the maximum temperature of the molten pool increased from 731?°C to 2672?°C, and the molten pool length changed from 0.286 mm to 2.167 mm. A reverse phenomenon was observed with an increase in scan speed. The sintering depth of the powder layer increases significantly from 0.061 mm to 0.872 mm with increasing the applied laser power, but decreased from 0.973 mm to 0.209 mm as a higher scan speed was applied. The developed model helps to optimize the powder layer thickness and minimize the wastage of excess powders during the sintering process.     

Micro/Nanoengineered α-Fe2O3 Nanoaggregate Conformably Enclosed by Ultrathin N-Doped Carbon Shell for Ultrastable Lithium Storage and Insight into Phase Evolution Mechanism

The Fe-based transition metal oxides are promising anode candidates for lithium storage considering their high specific capacity, low cost, and environmental compatibility. However, the poor electron/ion conductivity and significant volume stress limit their cycle and rate performances. Furthermore, the phenomena of capacity rise and sudden decay for α-Fe₂O₃ have appeared in most reports. Here, a uniform micro/nano α-Fe₂O₃ nanoaggregate conformably enclosed in an ultrathin N-doped carbon network (denoted as M/N-α-Fe₂O₃@NC) is designed. The M/N porous balls combine the merits of secondary nanoparticles to shorten the Li⁺ transportation pathways as well as alleviating volume expansion, and primary microballs to stabilize the electrode/electrolyte interface. Furthermore, the ultrathin carbon shell favors fast electron transfer and protects the electrode from electrolyte corrosion. Therefore, the M/N-α-Fe₂O₃@NC electrode delivers an excellent reversible capacity of 901 mA h g⁻¹ with capacity retention up to 94.0 % after 200 cycles at 0.2 A g⁻¹. Notably, the capacity rise does not happen during cycling. Moreover, the lithium storage mechanism is elucidated by ex situ XRD and HRTEM experiments. It is verified that the reversible phase transformation of α↔γ occurs during the first cycle, whereas only the α-Fe₂O₃ phase is reversibly transformed during subsequent cycles. This study offers a simple and scalable strategy for the practical application of high-performance Fe₂O₃ electrodes.     

过渡金属Co2+离子掺杂ZnS硫化物纳米晶制备与中红外发光特性研究

利用不含有机相的简单水热法制备了Co^2+∶ZnS纳米晶,纳米晶具有立方闪锌矿结构,平均晶粒尺寸约为8.3 nm,在808 nm激光泵浦下具有2~5μm波段的中红外荧光发射,中心波长位于3400 nm和4700 nm,分别对应Co^2+离子的4T2(F)→4 A 1(F)和4T1(F)→4T2(F)的能级跃迁.进一步将制备的纳米晶在还原气氛下进行800℃热处理,获得立方闪锌矿和纤锌矿混合晶型的纳米晶,平均晶粒尺寸增大到22.5 nm左右,热处理后的纳米晶表面羟基含量更低,中红外荧光发射强度显著提高.该Co^2+∶ZnS纳米晶的制备方法简单、在制备过程中不引入有机相等荧光淬灭中心,同时证明通过后热处理过程可以进一步减少表面缺陷及羟基含量,使荧光强度得到大幅提升.