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Borazine rings act as a pivotal part in siliconboroncarbonitride ceramics (SiBCN) for high-temperature stability and great resistance to crystallization. A detailed investigation of the ring formation mechanism will guide the design and synthesis of SiBCN to meet application requirements under extreme conditions. Boron trichloride (BCl3) and hexamethyldisilazane (HN(SiMe3)2) are common raw materials for the synthesis of precursors for SiBCN. In this paper, quantum chemical calculation was used to study the cyclization reaction mechanism between BCl3 and HN(SiMe3)2 to form trichloroborazine (TCBZ) at the MP2/6-31G (d,p) level of theory. We discussed the structure properties, reaction pathways, energy barriers, reaction rates, and other aspects in detail. The results show that BCl3 and HN(SiMe3)2 alternately participate in the reaction process, accompanied by the release of trimethylchlorosilane (TMCS), and that the entire reaction shows an absolute advantage in terms of energy. In the Step by step reaction, lower reaction barriers are formed due to the introduction of BCl3 with more heat released compared to that for the introduction of HN(SiMe3)2. The final single-molecule cyclization and TMCS elimination steps are found to be faster compared to all previous bimolecular reactions. 相似文献
3.
Peng Li Haibin Jiang Ariel Barr Zhichu Ren Rui Gao Hua Wang Weiwei Fan Meifang Zhu Guiyin Xu Ju Li 《Advanced functional materials》2021,31(51):2105845
Mercury, lead, and cadmium are among the most toxic and carcinogenic heavy metal ions (HMIs), posing serious threats to the sustainability of aquatic ecosystems and public health. There is an urgent need to remove these ions from water by a cheap but green process. Traditional methods have insufficient removal efficiency and reusability. Structurally robust, large surface-area adsorbents functionalized with high-selectivity affinity to HMIs are attractive filter materials. Here, an adsorbent prepared by vulcanization of polyacrylonitrile (PAN), a nitrogen-rich polymer, is reported, giving rise to PAN-S nanoparticles with cyclic π-conjugated backbone and electronic conductivity. PAN-S can be coated on ultra-robust melamine (ML) foam by simple dipping and drying. In agreement with hard/soft acid/base theory, N- and S-containing soft Lewis bases have strong binding to Hg2+, Pb2+, Cu2+, and Cd2+, with extraordinary capture efficiency and performance stability. Furthermore, the used filters, when collected and electrochemically biased in a recycling bath, can release the HMIs into the bath and electrodeposit on the counter-electrode as metallic Hg0, Pb0, Cu0, and Cd0, and the PAN-S@ML filter can then be reused at least 6 times as new. The electronically conductive PAN-S@ML filter can be fabricated cheaply and holds promise for scale-up applications. 相似文献
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增材制造过程中由于在凝固及随后的冷却阶段易产生残余应力,从而影响部件的成形和使用。在增材过程中引入轧制工序,可望降低宏观残余应力,从而降低部件的变形。本文通过建立Ti-6Al-4V钛合金电弧熔丝增材与层间轧制复合成形过程的有限元模型,研究圆柱形轧辊条件下不同压下量对部件温度、应力、应变及残余应力分布的影响规律。结果表明,层间轧制可显著降低沉积层金属中的残余宏观应力;同时降低对基板的整体应力。采用圆柱形轧辊并增加压下量可显著降低宏观残余应力,还可以通过塑性变形改变材料的微观组织,提高材料性能,为复合增材工艺的优化指明了方向。 相似文献
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Earth-abundant IV-VI semiconductor SnSe is regarded as a promising thermoelectric material due to its intrinsic low thermal conductivity. In this report, the highly textured SnSe/Ag2 Se composites were first designed by solid solution method followed by spark plasma sintering(SPS) and their thermoelectric properties in two directions were investigated, and then, the performance of composites was further optimized with an additional ball milling. The coexistence of SnSe and Ag2 Se phases is clearly confirmed by energy-dispersive X-ray spectroscopy(EDX) in transmission electron microscopy(TEM). After ball milling, the size of SnSe grains as well as the incorporated Ag2 Se particles reduces effectively, which synergistically optimizes the electrical and thermal transport properties at high temperature range. As a result, a maximum ZT of ~0.74 at 773 K for SnSe+1.0%Ag_2 Se in the direction vertical to the pressing direction is achieved. Composite engineering with additional ball milling is thus proved to be an efficient way to improve the thermoelectric properties of SnSe, and this strategy could be applicable to other thermoelectric systems. 相似文献
7.
Developed from soft lithography, replica molding has been proven to be a good method to prepare micron- and submicron-sized features. However, the fidelity of the features can be compromised by incomplete feature cavity filling and feature shrinkage during the forming process. In this study, centrifuge-aided micromolding is developed to prepare micron- and submicron-sized ZnO features. By introducing a centrifugal force, the shear-thinning behavior of the suspensions is utilized, and the cavity filling process and the diffusion of trapped air out of the features are accelerated. The drying shrinkage is decreased by increasing the density of the wet nanoparticle packing from the centrifugal process. The centrifugal force improves the fidelity of all the designed features. ZnO ridges from 0.4 μm to 2 μm size and rods of 1.6 μm size are prepared successfully. The wide applicability of this strategy has been demonstrated by preparing ZrO2 features via the same method. 相似文献
8.
Yu‐Jung Lin Chun‐Chieh Chen Dang Nguyen Huei‐Rou Su Kun‐Ju Lin Hsin‐Lung Chen Yu‐Jung Hu Po‐Liang Lai Hsing‐Wen Sung 《Small (Weinheim an der Bergstrasse, Germany)》2020,16(23)
Nitric oxide (NO) is a potent tumor‐cell radiosensitizer but it can be readily scavenged by hemoglobin (Hb) in vivo. A biomimetic incubator that can generate and deliver NO in a scavenger (Hb)‐free environment to enhance its radiosensitizing effect to maximize its efficacy in radiotherapy is proposed. This NO incubator comprises a poly(lactic‐co‐glycolic acid) (PLGA) hollow microsphere (HM) that contains an NO donor (NONOate) and a surfactant molecule (sodium caprate, SC) in its aqueous core. In acidic tumorous environments, the PLGA shell of the HM allows the penetration of protons from the outside, activating the hydrolytic cleavage of NONOate, spontaneously generating NO bubbles, which are immediately trapped/stabilized by SC. The SC‐stabilized NO bubbles in the HM are then squeezed through the spaces of its PLGA matrices by the elevated internal pressure. Upon leaving the HM, the entrapped NO molecules may passively diffuse through their SC‐stabilized/protected layer gradually to the tumor site, having a long‐lasting radiosensitizing effect and inhibiting tumor growth. The entire process of NO generation and delivery is conducted in a scavenger (Hb)‐free environment, mimicking the development of young ovoviviparous fish inside their mothers' bodies in the absence of predators before birth. 相似文献
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借助EBSD等技术研究了从冷轧到退火过程中IF钢中铁素体再结晶晶粒的取向演变。研究结果表明,从冷轧到退火过程中,铁素体晶粒取向向着平行于法向的[111]晶粒演变,而平行于法向的[100]晶粒逐渐消失;在冷轧变形过程中,铁素体晶粒的晶体取向决定着发生滑移变形的难易程度,与[100]晶粒相比,[111]晶粒更易于发生滑移变形,并在晶粒内部积累大量的位错,储存了大量的应变能,在随后的退火过程中,应变能较高的[111]晶粒优先形核并长大,优先发生再结晶,而应变能较低的[100]晶粒的再结晶受到阻碍。随着退火温度的升高,γ织构([111]//ND)明显增强,其织构组分(111)[112]尤为明显。 相似文献