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1.
《International Journal of Hydrogen Energy》2022,47(99):41783-41794
To satisfy arising energy needs and to handle the forthcoming worldwide climate transformation, the major research attention has been drawn to environmentally friendly, renewable and abundant energy resources. Hydrogen plays an ideal and significant role is such resources, due to its non-carbon based energy and production through clean energy. In this work, we have explored catalytic activity of a newly predicted haeckelite boron nitride quantum dot (haeck-BNQD), constructed from the infinite BN sheet, for its utilization in hydrogen production. Density functional theory calculations are employed to investigate geometry optimization, electronic and adsorption mechanism of haeck-BNQD using Gaussian16 package, employing the hybrid B3LYP and wB97XD functionals, along with 6–31G(d,p) basis set. A number of physical quantities such as HOMO/LUMO energies, density of states, hydrogen atom adsorption energies, Mulliken populations, Gibbs free energy, work functions, overpotentials, etc., have been computed and analysed in the context of the catalytic performance of haeck-BNQD for the hydrogen-evolution reaction (HER). Based on our calculations, we predict that the best catalytic performance will be obtained for H adsorption on top of the squares or the octagons of haeck-BNQD. We hope that our prediction of most active catalytic sites on haeck-BNQD for HER will be put to test in future experiments. 相似文献
2.
Chenchen Zhou Jia Man Haibo Yu He Xia Luming Man Bin Qi Jianfeng Li 《Ceramics International》2021,47(8):10866-10872
Ceramic microparticles have great potentials in various fields such as materials engineering, biotechnology, microelectromechanical systems, etc. Morphology of the microparticle performs an important role on their application. To date, it remains difficult to find an effective and controllable way for fabricating nonspherical ceramic microparticles with 3D features. This work demonstrates a method that combines UV light lithography and single emulsion opaque-droplet-templated microfluidic molding to prepare the crescent-shaped ceramic microparticles. By tailoring the intensity of UV light and flow rate of fluid, the shapes of microparticles are accordingly tuned. Therefore, varieties of crescent-shaped microparticles and their variations have been fabricated. After sintering, the crescent-shaped alumina ceramic microparticles were obtained. Benefitting from the light absorption and scattering behavior of most ceramic nanoparticles, this system can serve as a general platform to produce crescent-shaped microparticles made from different materials, and hold great potentials for applications in microrobotics, structural materials in MEMS, and biotechnology. 相似文献
3.
Da-Wang Tan Zhen-Yong Lao Zhan Zhang Wei-Ming Guo Shi-Kuan Sun Hua-Tay Lin 《Journal of the American Ceramic Society》2021,104(6):2860-2867
B4C-TiB2 ceramics (TiB2 ranging 5~70 vol%) with Mo-Co-WC as the sintering additive were prepared by spark plasma sintering. In comparison with B4C-TiB2 without additive, the enhanced densification was evident in the sintered specimen with Mo-Co-WC additive. Core-rim structured grain was observed around TiB2 grains. The interface of the rim between TiB2 and B4C phases demonstrated different feature: the inner borderline of the rim exhibited a smooth feature, whereas a sharp curved grain boundary was observed between the rim and the B4C grain. The formation mechanism is discussed: the epitaxial growth of (Ti,Mo,W)B2 rim around the TiB2 core may occur as a result of the solid solution and dissolution-precipitation between TiB2 phase and the sintering additive. It was revealed that the fracture toughness increased as the content of TiB2 content increased, alongside the decreased hardness. B4C-30 vol% TiB2 specimen demonstrated the optimal combination of mechanical properties, reaching Vickers hardness of 24.3 GPa and fracture toughness of 3.33 MPa·m1/2. 相似文献
4.
Hiromi Eba Yuki Masuzoe Toru Sugihara Hayao Yagi Tian Liu 《International Journal of Hydrogen Energy》2021,46(18):10642-10652
Ammonia generation was studied in the reaction between water and nitrogen-containing iron at 323 K and atmospheric pressure. Similar to metallic Fe, the interstitial compound Fe3N reduced water through Fe oxidation to produce hydrogen gas, while the N combined with atomic hydrogen to produce ammonia as a byproduct. The addition of carbon dioxide to this system accelerated the reaction with concomitant consumption of carbon dioxide. The promoted ammonia production upon addition of carbon dioxide can be attributed to the generation of atomic hydrogen from the redox reaction of carbonic acid and Fe, as well as removal of used Fe from the reaction system through the formation of a soluble carbonato complex. When carbonate was added to the reaction system, the production rates of ammonia and hydrogen increased further. The results here confirmed that ammonia can be synthesized from iron nitride under mild conditions by utilizing carbon dioxide. 相似文献
5.
《Ceramics International》2021,47(23):32969-32978
In this study, hydroxyapatite-based hydroxyapatite-wollastonite-boron nitride (HAp-Wo-BN) composite film was formed on the surface of Ti6Al4V by pulsed laser deposition (PLD). Based on a survey in scientific literature, it is presumed that this is the first time such a process is being undertaken. The wear and corrosion resistance of this film were analyzed comparatively in simulated body fluid (SBF) to simulate the human body environment. In the coating, HAp was used to form a bone-like layer, wollastonite was to enhance bone-tissue regeneration and BN was used for its bone-tissue healing and anti-bacterial properties. The results showed that the wear as well as the corrosion resistance of all samples after PLD treatment increased. Relatively the best wear resistance was achieved from boron nitride and wollastonite doped hydroxyapatite layers, where the best corrosion resistance was from the ones that consisted of only hydroxyapatite. 相似文献
6.
Recently, the successful synthesis of wafer-scale single-crystal graphene, hexagonal boron nitride (hBN), and MoS2 on transition metal surfaces with step edges boosted the research interests in synthesizing wafer-scale 2D single crystals on high-index substrate surfaces. Here, using hBN growth on high-index Cu surfaces as an example, a systematic theoretical study to understand the epitaxial growth of 2D materials on various high-index surfaces is performed. It is revealed that hBN orientation on a high-index surface is highly dependent on the alignment of the step edges of the surface as well as the surface roughness. On an ideal high-index surface, well-aligned hBN islands can be easily achieved, whereas curved step edges on a rough surface can lead to the alignment of hBN along with different directions. This study shows that high-index surfaces with a large step density are robust for templating the epitaxial growth of 2D single crystals due to their large tolerance for surface roughness and provides a general guideline for the epitaxial growth of various 2D single crystals. 相似文献
7.
在多晶硅太阳能电池的生产过程中, 金刚线切割技术(Diamond wire sawn, DWS)具有切割速度快、精度高、原材料损耗少等优点, 受到了广泛关注。金刚线切割多晶硅表面形成的损伤层较浅, 与传统的酸腐蚀制绒技术无法匹配, 金属催化化学腐蚀法应运而生。金属催化化学腐蚀法制绒具有操作简单、结构可控且易形成高深宽比的绒面等优点, 具有广阔的应用前景。本文总结了不同类型的金属催化剂在制绒过程中的腐蚀机理及其形成的绒面结构, 深入分析和讨论了具有代表性的银、铜的单一及复合催化腐蚀过程及绒面结构和电池片性能。最后对金刚线切割多晶硅片表面的金属催化化学腐蚀法存在的问题进行了分析, 并展望了未来的研究方向。 相似文献
8.
A new aqueous slurry-based laminated object manufacturing process for porous ceramics is proposed: firstly, an organic mesh sheet is pre-paved as a pore-forming template before slurry layer scraping; secondly, the 2D pattern is built with laser outline cutting of the dried mesh–ceramic composite layer; finally, the pore structure is formed after degreasing and sintering. Alumina parts with porosities of 51.5 %, round hole diameters of 80 ± 5 μm were fabricated using 70 wt. % solid content slurry and 100 mesh nylon net. Using an organic mesh as the framework and template not only reduces the risk of damage of the green body but also ensures the regularity, uniformity and connectivity of the micron scaled pore network. The layer-by-layer drying method avoids the delamination phenomenon and improves the paving density. The new method can realize the flexible design of the pore structure by using various organic mesh templates. 相似文献
9.
《Ceramics International》2021,47(23):33353-33362
High thermal conductivity Si3N4 ceramics were fabricated using a one-step method consisting of reaction-bonded Si3N4 (RBSN) and post-sintering. The influence of Si content on nitridation rate, β/(α+β) phase rate, thermal conductivity and mechanical properties was investigated in this work. It is of special interest to note that the thermal conductivity showed a tendency to increase first and then decrease with increasing Si content. This experimental result shows that the optimal thermal conductivity and fracture toughness were obtained to be 66 W (m K)-1 and 12.0 MPa m1/2, respectively. As a comparison, the nitridation rate and β/(α+β) phase rate in a static pressure nitriding system, i.e., 97% (MS10), 97% (MS15), 97% (MS20) and 8.3% (MS10), 8.3% (MS15), 8.9% (MS20), respectively, have obvious advantages over those in a flowing nitriding system, i.e., 91% (MS10), 91% (MS15), 93% (MS20) and 3.1% (MS10), 3.3% (MS15), 3.3% (MS20), respectively. Moreover, high lattice integrity of the β-Si3N4 phase was observed, which can effectively confine O atoms into the β-Si3N4 lattice using MgO as a sintering additive. This result indicates that one-step sintering can provide a new route to prepare Si3N4 ceramics with a good combination of thermal conductivity and mechanical properties. 相似文献
10.
Yuelong Ma Le Zhang Tianyuan Zhou Bingheng Sun Chen Hou Shunshun Yang Jin Huang Rui Wang Farida A. Selim Zhongying Wang Ming Li Hao Chen Yun Wang 《Journal of the European Ceramic Society》2021,41(4):2834-2846
Ce:Y3Al5O12 transparent ceramics (TCs) with appropriate emission light proportion and high thermal stability are significant to construct white light emitting diode devices with excellent chromaticity parameters. In this work, strategies of controlling crystal-field splitting around Ce3+ ion and doping orange-red emitting ion, were adopted to fabricate Ce:(Y,Tb)3(Al,Mn)5O12 TCs via vacuum sintering technique. Notably, 85.4 % of the room-temperature luminescence intensity of the TC was retained at 150 °C, and the color rendering index was as high as 79.8. Furthermore, a 12 nm red shift and a 16.2 % increase of full width at half maximum were achieved owing to the synergistic effects of Tb3+ and Mn2+ ions. By combining TCs with a 460 nm blue chip, a warm white light with a low correlated color temperature of 4155 K was acquired. Meanwhile, the action mechanism of Tb3+ ion and the energy transfer between Ce3+ and Mn2+ ions were verified in prepared TCs. 相似文献