FeOOH–CoS composite catalyst with high catalytic performances for oxygen evolution reaction at high current density

Water electrolysis is an efficient approach for high-purity hydrogen production. However, the anodic sluggish oxygen evolution reaction (OER) always needs high overpotential and thus brings about superfluous electricity cost of water electrolysis. Therefore, exploiting highly efficient OER electrocatalysts with small overpotential especially at high current density will undoubtedly boost the development of industrial water electrolysis. Herein, we used a simple hydrothermal method to prepare a novel FeOOH–CoS nanocomposite on nickel foam (NF). The as-prepared FeOOH–CoS/NF catalyst displays an excellent OER performance with extremely low overpotentials of 306 and 329 mV at 500 and 1000 mA cm⁻² in 1.0 M KOH, respectively. In addition, the FeOOH–CoS/NF catalyst can maintain excellent catalytic stability for more than 50 h, and the OER catalytic activity shows almost no attenuation no matter after 1000 repeated CV cycles or 50 h of stability test. The high catalytic activity and stability have exceeded most non-noble metal electrocatalysts reported in literature, which makes the FeOOH–CoS/NF composite catalyst have promising applications in the industrial water electrolysis.     

Zinc doped Fe2O3 for boosting Electrocatalytic Nitrogen Fixation to ammonia under mild conditions

Artificial nitrogen fixation is emerging as a promising approach for synthesis of ammonia at mild conditions. Inspired by biological nitrogen fixation based on bacteria containing iron, zinc doped Fe₂O₃ nanoparticles are proposed as an efficient and earth abundant electrocatalyst for converting N₂ to NH₃. In neutral media, it achieves a maximum Faradaic efficiency (FE) of 10.4% and a large NH₃ yield rate of 15.1 μg h^?1 mg^?1_cat. at ?0.5 V vs. reversible hydrogen electrode. This catalyst also exhibits excellent selectivity and stability. Theoretical calculations suggest the reaction follows the associative enzymatic mechanism and it has a barrier of as low as 0.68 eV.     

A first-principles investigation on mechanical and metallic properties of titanium carbides under pressure

The titanium carbides are potential candidates to achieve both high hardness and refractory property. We carried out a structural search for titanium carbides at three pressures of 0 GPa, 30 GPa and 50 GPa. A phase diagram of the Ti-C system at 0 K was obtained by elucidating formation enthalpies as a function of compositions, and their mechanical and metallic properties of titanium carbides were investigated systematically. We also discussed the relation of titanium concentration to the both mechanical and metallic properties of titanium carbides. It has been found that the average valence electron density and tractility improved at higher concentrations of titanium, while the degree of covalent bonding directionality decreased. To this effect, the hardness of titanium carbide decreases as the content of titanium increases. Our results indicated that the titanium content significantly affected the metallic properties of the Ti-C system.     

基于投影寻踪的径向基函数网络在参考腾发量预测中的应用

径向基函数网络(RBFN)已广泛应用于参考腾发量预测等领域，但常用的K均值聚类和自组织特征映射等方法在求取径向基函数网络隐层节点中心时存在较大不足。针对这一问题，本文引入投影寻踪方法，在投影降维的基础上实现对大量高维数据的聚类，建立了基于投影寻踪的径向基函数网络模型，并将该模型应用于山西潇河灌区参考腾发量的预测，研究了不同气象因子输入对参考腾发量预测精度的影响。结果表明，基于投影寻踪的径向基函数网络具有较强的适用性，只需使用最高温度、最低温度、日照时数和旬序数作为输入因子，就能以较高的精度预测参考腾发量。     

离心泵并联运行工况点的数值求解

建立了求解多台不同型号离心泵并联运行工况点的数学模型,给出了用数值计算中的“二分法”求解该模型的方法,并附有用Exce l计算的实例。     

ZnO基薄膜晶体管的研究

ZnO是一种宽带隙的光电半导体材料,能应用于很多领域,如可用在压敏变阻器、声表面波器件、气敏元件、紫外光探测等。ZnO也可以作为有源层应用于薄膜晶体管(TFT)中。ZnO基薄膜晶体管具有以下突出优势:对于可见光部分平均具有80%以上的透射率,迁移率可以高达36cm2/V·s,开/关电流比大于106,可在较低温度(甚至室温)下制备。基于这些优点,ZnOTFT具有取代有源矩阵液晶显示器中常规a-SiTFT的趋势。同时对ZnOTFT的研究也推动了透明电子学的发展。本文阐述了ZnOTFT优越的电学性能,指出了其目前尚存在的不足,并对其发展前景进行了展望。     

地统计克立格插值法在工程土方计算中的应用

土方计算是工程中经常碰到的问题。尝试利用地统计学的克立格插值法来计算土方，将其应用于余姚市泗门镇土地整理工程中进行实测试验。介绍了其基本的原理和公式，并与利用数字高程模型计算得到的土方工程量进行了比较，发现地统计插值法可较精确地确定设计标高和土方量，证明该方法的可行性和优越性。     

波动方程数值模拟的隐式差分法

在有限差分波动方程数值模拟中,通常采用高阶差分方法来提高空间导数的数值逼近精度,以实现降低数值频散,提高数值模拟精度的目的。首先对差分频散进行了理论分析;然后讨论了估计一阶空间导数的隐式差分格式,并与通常采用的高阶精度显式差分格式进行了对比分析,结果表明,隐式差分格式能够在更宽的波数范围使差分频散控制在可接受的水平,如8阶精度的显式差分格式所适应的波数带宽约为O．55kmax,而隐式差分格式所适应的波数带宽约为0．7kmax;最后通过模型试算,对隐式差分格式的有效性进行了验证。模拟结果表明,用隐式差分格式在一定程度上降低了差分频散,提高了模拟精度。     

基于PC机群的大地电磁Occam反演并行计算研究

Occam反演以其稳定收敛和不依赖于初始模型的特性被广泛应用于大地电磁数据的处理，但偏导数矩阵的计算和拉格朗日乘子的求取导致大量的模型正演，使得反演速度较低。为此，研究了用基于PC机群的并行计算来解决这一问题的方法。首先对Occam反演方法进行了阐述；然后，分析了反演方法中各计算耗费的时间，提出对约占计算量90％的偏导数和拉格朗日乘子进行并行计算的思想，即偏导数计算采用频点计算一级的大粒度并行，拉格朗日乘子扫描和一维搜索分别采用弘值计算一级的大粒度并行和频点计算一级的小粒度并行；给出了并行计算的实现方法，即在PC机群上，利用主一从编程模式实现Occam反演的整体并行计算。在计算中，采用任务组合方式，减少了通信量，较好地实现了负载均衡。在4节点PC机群上，对应于拉格朗日乘子的扫描和一维搜索方式，整体加速比分别达到3．36和2．83。