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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.
《International Journal of Hydrogen Energy》2022,47(9):6377-6387
This work is focused on the explosion characteristics of premixed gas containing different volume fractions of hydrogen in a narrow channel (1000 mm × 50 mm × 10 mm) under the circumstance of stoichiometric ratio. The ignition positions were set in the closed end and the middle of the pipeline respectively. The results showed that when the gas was ignited at the pipeline closed end, the propagating flame was tulip structure for different premixed gas. When the hydrogen volume fraction was less than 40%, the flame propagation speed increased significantly with the rise of hydrogen volume fraction, and the overpressure peak also appeared obviously in advance. However, when the volume fraction of hydrogen was more than 40%, the increase of flame propagation speed and the overpressure peak occurrence time varied slightly. Furthermore, when the ignition position was placed in the middle of the pipeline, the flame propagation speed propagating to the opening end was much faster than that propagating to the closing end, and there was no tulip shape when the flame propagates to the opening end. The flame propagating to the closed end appeared tulip shape under the influence of airflow, and high-frequency flame oscillation occurred during the propagation. This work shows that the hydrogen volume fraction and ignition position significantly affected the flame structure, flame front speed, and explosion overpressure. 相似文献
3.
《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
4.
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
5.
6.
《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
7.
目的:探索炎性疾病患者的乳酸林格氏液(Ringer's lactate,RL)液体动力学特征以及炎性生物标记物是否可以作为协变量影响RL分布和排泄。方法:本研究为前瞻性队列研究。选择40例美国麻醉医师分级(ASA)I-II级,腹腔镜下择期胆囊切除术(胆囊炎组,n=20)或者腹腔镜下急诊阑尾切除术(阑尾炎组,n=20)。所有患者麻醉诱导前开始输注RL,按15 mL/kg,35 min内输毕。采用酶联免疫(enzyme-linked immunosorbent assay,ELISA)方法测定血浆炎症(TNF-α,IL-10和CRP)或者内皮损伤生物标记物(syndecan-1,SDC-1);利用血红蛋白(Hb)稀释-时间曲线和尿量,使用Phoenix软件,采用非线性混合效应模型分析计算RL液体动力学参数和协变量的影响。结果:与胆囊炎组相比,阑尾炎组RL从组织间隙到血浆的转运速率常数(k21)显著降低(14×10-3min-1 versus 35×10-3min-1;P=0.012)。阑尾炎组C反应蛋白(CRP)升高[中位数38.1(1.8-143.6) μg/mL versus 1.3(0.1-159.0) μg/mL;P<0.001];与清醒状态相比,麻醉期间(输液开始后30~45 min),液体从中央室中到外周室的转运速率常数(k12)显著增加(57×10-3min-1 versus 32×10-3min-1;P<0.01)。清除速率常数(k10)降低90%(0.6×10-3min-1 versus 5.3×10-3min-1;P<0.001)。无论在清醒状态还是麻醉状态下低血压均能降低液体清除;炎症或者内膜损伤的生物标记物不能作为显著影响RL液体动力学参数的协变量。结论:阑尾炎或者胆囊炎患者术前输入液体后“炎症反应的生物标记物”不是RL的液体动力学的协变量,但是两组患者中,全身麻醉期间输入液体的清除率下降。 相似文献
8.
《低温学》2015
The development of a high cooling power and high efficiency 4.2 K two stage G-M cryocooler is critically important given its broad applications in low temperature superconductors, MRI, infrared detector and cryogenic electronics. A high efficiency 1.5 W/4.2 K pneumatic-drive G-M cryocooler has recently been designed and developed by ARS. The effect of expansion volume rate and operation conditions on the cooling performance has been experimentally investigated. A typical cooling performance of 1.5 W/4.2 K has been achieved, and the minimum temperature of the second stage is 2.46 K. The steady input power of the compressor at 60 Hz is 6.8 kW, while the operation speed of the rotary valve is 30 rpm. A maximum cooling power of 1.75 W/4.2 K has been obtained in test runs. 相似文献
9.
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
10.
睡眠期间连续且准确的呼吸量监测有助于推断用户的睡眠阶段以及提供一些慢性疾病的线索。现有工作主要针对呼吸频率进行感知和监测,缺乏对呼吸量进行连续监测的手段。针对上述问题提出了一种基于商用无线射频识别(RFID)标签的无线感知用户睡眠期间呼吸量的系统——RF-SLEEP。RF-SLEEP通过阅读器连续收集附着在胸部表面的标签阵列返回的相位值及时间戳数据,计算出呼吸引起的胸部不同点的位移量,基于广义回归神经网络(GRNN)构建胸部不同点的位移量与呼吸量之间的关系模型,从而实现对用户睡眠期间呼吸量的评估。RF-SLEEP通过在用户肩膀处附着双参考标签,消除用户睡眠期间翻转身体对胸部位移计算造成的误差。实验结果表明,RFSLEEP对不同用户睡眠期间的呼吸量连续监测的平均精确度为92.49%。 相似文献