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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.
《Ceramics International》2022,48(6):7622-7628
Strain-mediated coupling between the magnetic and electrically ordered phases plays a significant role in magnetoelectric (ME) nano-composites. This study explores a method to analyse and quantify interfacial strain using a grazing angle scan (α) in a ME composite optimised for a specific microstructure. The details of strain around the interface CoFe2O4 (CFO) – 0.93Na0.5Bi0.5TiO3 – 0.07BaTiO3 (NBT-BT) was determined by performing ‘α’ scan, in order to gather information at various depths of the NBT-BT layer around maximum intensity (110) reflection. The strain around the interface was observed to dominate over a spatial region of ~20–30 nm away from the interface. The Piezoresponse force microscopy (PFM) studies performed near the interface reveal that the strain constrain experienced by the ferroelectric layer operates such that polarisation rotation and domain wall motion are constrained compared to the strain relaxed region of the film. For effective strain transfer, heterostructures grown with optimised thicknesses (~20–30 nm) exhibited a superior inverse piezomagnetic effect. 相似文献
3.
Since the discovery in 1922 of 2,2-diphenyl-1-(2,4,6-trinitrophenyl) hydrazyl stable free radical (DPPH·), the chemistry of such open-shell compounds has developed continuously, allowing for both theoretical and practical advances in the free radical chemistry area. This review presents the important, general and modern aspects of the chemistry of hydrazyl free radicals and the science behind it. 相似文献
4.
《International Journal of Hydrogen Energy》2022,47(70):30172-30177
Sulfured doped carbon electrocatalysts is synthesized from the waste biomass Sargassum spp. Two doping procedures are examined to determine which is better for Oxygen Reduction Reaction (ORR); one by doping biocarbon obtained from the pyrolysis of the biomass and the second through a process of in situ doping in autoclave. The electrocatalyst are obtained from pyrolysis of the sample at 700 °C, which is finally characterized as a metal free electrocatalyst for the ORR. The electrocatalyst are characterized by BET surface area analysis, Raman spectroscopy, X-ray Photoelectron Spectroscopy (XPS) and the electrochemical characterization is determined in 0.1 M KOH. The sample SSKPT-1 exhibits a promising electrocatalytic activity with an onset potential of 0.896 V vs RHE and a current density of 5 mA cm?2 (at 0.2 V vs. RHE) which could be partly attributed to its high BET surface area of 2755 m2 g?1. 相似文献
5.
Through improved synthesis process, resistance reduction effect of (K0.5Bi0.5)TiO3 (KBT) doping in Y–Mn co-doped BaTiO3 (BT) lead free ceramics was investigated. By different doping methods (doping K2O, Bi2O3 and TiO2 or synthesized KBT), medium Curie temperature (around 130 °C) lead free BT ceramics were obtained with ultra-low resistivity (13.84 Ωcm) with a temperature maintaining process at 700 °C. In this contribution, effect of sintering process and doping methods is discussed in detail. 相似文献
6.
7.
A number of worms, named P2P (peer-to-peer) passive worms, have recently surfaced, which propagate in P2P file-sharing networks and have posed heavy threats to these networks. In contrast to the majority of Internet worms, it is by exploiting users’ legitimate activities instead of vulnerabilities of networks in which P2P passive worms propagate. This feature evidently slows down their propagation, which results in them not attracting an adequate amount of attention in literature. Meanwhile, this feature visibly increases the difficulty of detecting them, which makes it very possible for them to become epidemic. In this paper, we propose an analytical model for P2P passive worm propagation by adopting epidemiological approaches so as to identify their behaviors and predict the tendency of their propagation accurately. Compared with a few existing models, dynamic characteristics of P2P networks are taken into account. Based on this proposed model, the sufficient condition for the global stability of the worm free equilibrium is derived by applying epidemiological theories. Large scale simulation experiments have validated both the proposed model and the condition. 相似文献
8.
中国深层煤层气资源丰富,但总体勘探和认识程度较低,尚未形成较为系统的深层煤层气地质理论。通过解剖分析准噶尔盆地白家海凸起和鄂尔多斯盆地临兴区块深层"超饱和"煤层气井的试气/生产动态,估算原地游离气的含气量,分析了深层"超饱和"煤层气的形成条件。研究表明:①深层"超饱和"煤层气储层中除吸附气外,还含有原地游离气,用常规试气方法可直接获得气流,煤层气的产出不明显依赖于排水降压;②埋藏超过一定深度,在煤阶和温度的综合作用下,煤的吸附能力将随埋深的继续增加而降低,煤层中吸附气的饱和度有增加的趋势,在达到吸附饱和后,出现原地游离气并形成"超饱和"煤层气,盆地深层具有"超饱和"煤层气形成的优势条件;③由于地温梯度和压力梯度的不同,不同盆地"超饱和"煤层气出现的临界深度不同,异常高压和异常高热流可以降低深层"超饱和"煤层气形成的临界深度;④深层"超饱和"煤层气开发具有大大缩短见气时间、充分利用地层能量和累积产水量低等优势,有望成为未来煤层气勘探开发的一个重要领域。 相似文献
9.
Seong‐Hee Kim 《Quality and Reliability Engineering International》2015,31(6):923-934
We present a distribution‐free tabular cumulative sum chart for monitoring the variability of an autocorrelated process. A quantity known as the asymptotic variance parameter is employed as a measure of the variability, and a distribution‐free tabular cumulative sum chart is applied to variance estimates calculated from batches of nonoverlapping samples. The proposed chart is applicable to a stationary process with a general marginal distribution and a general autocorrelation structure. It also determines control limits analytically without trial‐and‐error simulations. The performance of the proposed chart is tested on stationary processes with both normal and nonnormal marginals with various autocorrelation structures. Copyright © 2014 John Wiley & Sons, Ltd. 相似文献
10.
通过HPT250轧机在技术改造中遇到的一个问题,即滑移系数对冷轧元缝钢管在轧制过程中所起的作用。在实际生产中经过不断的技术研究和改进。使闲置多年的HPT250轧机为钢管公司的生产迭拉起到很大的作用。 相似文献