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排序方式: 共有6236条查询结果,搜索用时 15 毫秒
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.
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
3.
《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
4.
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
5.
《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
6.
Kalli Sai Bhavani Tummala Anusha Pradeep Kumar Brahman 《International Journal of Hydrogen Energy》2021,46(13):9199-9214
In the present study, we report an eco-friendly and simple route to design and synthesize novel nanocomposite catalyst based on platinum nanoparticles anchored on binary support of graphitic carbon nitride (g-C3N4) and cobalt-metal-organic framework (ZIF-67). For this purpose, ZIF-67 was prepared by precipitation method and g-C3N4 was prepared through thermal polymerization method. Later, ZIF-67 and g-C3N4 were hybridized through sonication to get homogeneous g–C3N4–ZIF-67 nanocomposite support material. Platinum nanoparticles (PtNPs) were uniformly deposited on g–C3N4–ZIF-67 by an electrochemical method. The as-developed nanocatalyst was characterized by morphological, structural and electrochemical techniques. The electrocatalytic activity of PtNPs@g–C3N4–ZIF-67 nanocatalyst towards butanol oxidation was evaluated via CV, CA, LSV and EIS in an alkaline medium. Results revealed that the proposed catalyst showed greatly enhanced electrooxidation of butanol in terms of high magnificent current density, lower oxidation potential, excellent long-term stability, large surface area, low charge transfer resistance and less toxic ability. Enhanced catalytic performance of the proposed catalyst could be ascribed to the synergistic effect of g–C3N4–ZIF-67 nanocomposite and PtNPs. The PtNPs@g–C3N4–ZIF-67 catalyst holds promising potential applications to be used as an anodic electrocatalyst for the development of high-performance alkaline fuel cells. 相似文献
7.
Isaac Isarn Leïla Bonnaud Lluís Massagus ngels Serra Francesc Ferrando 《Polymer International》2020,69(3):280-290
The enhancement of the thermal conductivity, keeping the electrical insulation, of epoxy thermosets through the addition of pristine and oxidized carbon nanotubes (CNTs) and microplatelets of boron nitride (BN) was studied. Two different epoxy resins were selected: a cycloaliphatic (ECC) epoxy resin and a glycidylic (DGEBA) epoxy resin. The characteristics of the composites prepared were evaluated and compared in terms of thermal, thermomechanical, rheological and electrical properties. Two different dispersion methods were used in the addition of pristine and oxidized CNTs depending on the type of epoxy resin used. Slight changes in the kinetics of the curing reaction were observed in the presence of the fillers. The addition of pristine CNTs led to a greater enhancement of the mechanical properties of the ECC composite whereas the oxidized CNTs presented a greater effect in the DGEBA matrix. The addition of CNTs alone led to a marked decrease of the electrical resistivity of the composites. Nevertheless, in the presence of BN, which is an electrically insulating material, it was possible to increase the proportion of pristine CNTs to 0.25 wt% in the formulation without deterioration of the electrical resistivity. A small but significant synergic effect was determined when both fillers were added together. Improvements of about 750% and 400% in thermal conductivity were obtained in comparison to the neat epoxy matrix for the ECC and DGEBA composites, respectively. © 2019 Society of Chemical Industry 相似文献
8.
9.
为获得金属表面特别是高副接触金属表面含自润滑特性且具有高硬度耐磨特性的功能材料 ,研究了 45 # 钢表面激光合金化氮化硅 /石墨复合涂层的工艺方法、组织特征、界面形态及其形成机制 ,利用光学显微镜、扫描电镜和X射线能谱对所形成合金化层的元素分布和含量进行了分析 ,并对试样硬度进行了测定。结果表明 ,合金化层中元素Fe ,Co ,Si,C分布均匀 ;C含量达到了 15 6 9%,大部分以石墨的形式存在 ,具有一定的自润滑性能 ;但在形成合金化层的温度条件下 ,氮化硅分解严重 ;合金化层硬度提高的主要原因是Si Fe ,Co Fe固溶体的强化作用及高碳马氏体的生成和高硬度碳化物的存在。 相似文献
10.
María P. Albano Liliana B. Garrido 《Journal of Materials Synthesis and Processing》2002,10(4):211-218
Si3N4powders coated with 6 wt% Y2O3and 4 wt% Al2O3were prepared by coprecipitation. The resulting powders were dispersed in water at different pH values and with addition of various amounts of ammonium polyacrylate (NH4PA) to produce 32 vol% slips. The influence of the amount of NH4PA solution added and pH on the rheological properties of 32 vol% coated Si3N4slips were studied. In addition, the sintered density of cast samples was determined and related to the degree of slip dispersion. The adsorption of the NH4PA on the coated particle surface was rather high and the surface became saturated near 0.86 mg/m2at pH 9.2. High NH4PA concentrations (1.7–3 wt%) were necessary to obtain well dispersed 32 vol% coated Si3N4slips at pH 9.2. The best stabilization was obtained with the addition of 2.3 wt% NH4PA; in this condition, the viscosity reached a minimum value of 35 mPa.s at 100 s–1. The slip viscosity increased with increasing pH from 9.2 to 10.2. Slips with low viscosities gave a more dense packing of cast samples and consequently higher sintered density values. 相似文献