Determinants of biopharmaceutical R&D expenditures in China: the impact of spatiotemporal context

Scientometrics - The spatiotemporal context affects corporate behavior because any corporate activity is carried out in a specific time and space. Based on an examination on the research and...     

A DFT study on enhanced adsorption of H2 on Be-decorated porous graphene nanosheet and the effects of applied electrical fields

The adsorption of the hydrogen molecule on the pure porous graphene nanosheet (P-G) or the one decorated with Be atom (Be-G) was investigated by the first-principle DFT calculations. The Be atom was adsorbed on the P-G with a binding energy of ?1.287 eV to successfully establish the reasonable Be-G. The P-G was a poor substrate to interact weakly with the H₂, whereas the Be-G showed a high affinity to the adsorbed H₂ with an enhanced adsorption energy and transferred electrons of ?0.741 eV and 0.11 e, respectively. A molecular dynamics simulation showed that the H₂ could also be adsorbed on the Be-G at room temperature with a reasonable adsorption energy of ?0.707 eV. The interaction between the adsorbed H₂ and the Be-G was further enhanced with the external electrical fields. The applied electrical field of ?0.4 V/Å was found to be the most effective to enhance the adsorption of H₂ on the Be-G with the modified adsorption energy and the improved transferred electrons being ?0.708 eV and 0.17 e, respectively. Our study shows that the Be-G is a promising substrate to interact strongly with the H₂ and could be applied as a high-performance hydrogen gas sensor, especially under the external electrical field.     

Employing one-step coupling cold plasma and thermal polymerization approach to construct nitrogen defect-rich carbon nitrides toward efficient visible-light-driven hydrogen generation

Construction of structural defects in photocatalysts is a powerful tool for regulating their photocatalytic performance. In this work, we develop a facile one-step coupling cold plasma and thermal polymerization approach to synthesize a series of nitrogen defect-rich graphitic carbon nitrides (C₃N_4-x), which are used for visible-light-driven hydrogen generation from water. The nitrogen defect-induced band structure regulation of C₃N_4-x catalysts can be carried out through controlling the bombardment time and excitation power of generator during the plasma modification process. The defective C₃N_4-x catalysts have the extended visible light absorption and improved separation efficiency of photogenerated charge carriers, which results in the boosted hydrogen generation activity. Particularly, the optimal C₃N_4-x possesses a hydrogen generation rate of 2.46 mmol h^?1 g^?1, which is about 4.5 times higher than the pristine C₃N₄ synthesized by the single thermal polymerization of urea. The cold plasma modification-based one-step synthesis approach guides us for rationally designing defective nanomaterials with excellent catalytic performance.     

Three-dimensional visualization and quantification of microporosity in aluminum castings by X-ray micro-computed tomography

Porosity is a major issue in solidification processing of metallic materials.In this work,wedge die casting experiments were designed to investigate the effect of cooling rate on microporosity in an aluminum alloy A356.Microstructure information including dendrites and porosity were measured and observed by optical microscopy and X-ray micro-computed tomography(XMCT).The effects of cooling rate on secondary dendrite arm spacing(SDAS)and porosity were discussed.The relationship between SDAS and cooling rate was established and validated using a mathematical model.Three-dimensional(3-D)porosity information,including porosity percentage,pore volume,and pore number,was determined by XMCT.With the cooling rate decreasing from a lower to a higher position of the wedge die,the observed pore number decreases,the porosity percentage increases,and the equivalent pore radius increases.Sphericity of the pores was discussed as an empirical criterion to distinguish the types of porosity.For different cooling rates,the larger the equivalent pore radius is,the lower the sphericity of the pores.This research suggests that XMCT is a useful tool to provide critical 3-D porosity information for integrated computational materials engineering(ICME)design and process optimization of solidification products.     

Enhanced electrode kinetics and electrochemical properties of low-cost NaFe2PO4(SO4)2 via Ca2+doping as cathode material for sodium-ion batteries

In recent years,sodium-ion batteries(SIBs)have been considered as one of the most promising alterna-tives to lithium-ion batteries(LIBs).Here,a new Na-super-ionic conductor(NASICON)cathode material NaFe2PO4(SO4)2 is successfully prepared through solid state method for SIBs.While the poor electronic conductivity of iron-based materials results in its poor rate and cycle performance.Then the electro-chemical is effectively promoting via Ca2+doping.Na0.84Ca0.08Fe2PO4(SO4)2 have achieved considerable electrochemical properties.The first discharge specific capacity is 121.6mAhg-1 at 25mAg-1 with the voltage platform(～3.1 V)corresponding to Fe2+/3+.After 100 cycles,the capacity retention is 55.1％.The excellent electrochemical performance is caused by some Na+is substituted by Ca2+and leading to the fast sodium kinetics,which is well proved by the powder X-ray diffraction pattern and well corresponding to the galvanostatic intermittent titration technique and cyclic voltammetry testing result(the diffusivity values are around at 10-12 cm2 s-1).     

Nanoporous Surface High-Entropy Alloys as Highly Efficient Multisite Electrocatalysts for Nonacidic Hydrogen Evolution Reaction

Electrocatalytic hydrogen evolution in alkaline and neutral media offers the possibility of adopting platinum-free electrocatalysts for large-scale electrochemical production of pure hydrogen fuel, but most state-of-the-art electrocatalytic materials based on nonprecious transition metals operate at high overpotentials. Here, a monolithic nanoporous multielemental CuAlNiMoFe electrode with electroactive high-entropy CuNiMoFe surface is reported to hold great promise as cost-effective electrocatalyst for hydrogen evolution reaction (HER) in alkaline and neutral media. By virtue of a surface high-entropy alloy composed of dissimilar Cu, Ni, Mo, and Fe metals offering bifunctional electrocatalytic sites with enhanced kinetics for water dissociation and adsorption/desorption of reactive hydrogen intermediates, and hierarchical nanoporous Cu scaffold facilitating electron transfer/mass transport, the nanoporous CuAlNiMoFe electrode exhibits superior nonacidic HER electrocatalysis. It only takes overpotentials as low as ≈240 and ≈183 mV to reach current densities of ≈1840 and ≈100 mA cm⁻² in 1 m  KOH and pH 7 buffer electrolytes, respectively; ≈46- and ≈14-fold higher than those of ternary CuAlNi electrode with bimetallic Cu–Ni surface alloy. The outstanding electrocatalytic properties make nonprecious multielemental alloys attractive candidates as high-performance nonacidic HER electrocatalytic electrodes in water electrolysis.     

Preparation and electromagnetic-wave-absorption properties of a nitrogen-doped carbon–supported iron(II,III) oxide composite

Journal of Materials Science: Materials in Electronics - A single material with dielectric or magnetic loss behavior cannot optimally absorb electromagnetic waves because such waves are composed of...     

Object matching between visible and infrared images using a Siamese network

Applied Intelligence - In this study, we propose a method for object matching between visible and infrared images. We consider object matching between visible and infrared images as a computational...     

上海中心大厦超高绿色建筑

上海中心大厦项目在规划、设计和施工中通过减少对各种资源尤其是不可再生资源的再利用、控制能源能耗、提高室内环境质量以及运用BIM技术等措施,实现了整个工程的精细化管理,已同时获得三星级绿色建筑设计标识证书和LEED金级预认证,是国内超高层首获双认证的摩天大楼。