High-throughput computational screening and design of nanoporous materials for methane storage and carbon dioxide capture

The globally increasing concentrations of greenhouse gases in atmosphere after combustion of coal-or petroleum-based fuels give rise to tremendous interest in searching for porous materials to efficiently capture carbon dioxide(CO_2) and store methane(CH4), where the latter is a kind of clean energy source with abundant reserves and lower CO_2 emission. Hundreds of thousands of porous materials can be enrolled on the candidate list, but how to quickly identify the really promising ones, or even evolve materials(namely, rational design high-performing candidates) based on the large database of present porous materials? In this context, high-throughput computational techniques, which have emerged in the past few years as powerful tools, make the targets of fast evaluation of adsorbents and evolving materials for CO_2 capture and CH_4 storage feasible. This review provides an overview of the recent computational efforts on such related topics and discusses the further development in this field.

Preparation of Nanoporous Thermal Insulating Materials and Their Application as Ladle Linings

The nanoporous thermal insulating material was prepared by using fumed silica,SiC powder and glass fiber as starting materials,the appropriate thickness of the nanoporous thermal insulating material lined in ladle was discussed by the simulation method,and the effect of its application as ladle lining was investigated.The results show that the thermal conductivity of the nanoporous thermal insulating material prepared in composition of fumed silica： SiC powder： glass fiber =75： 20：5 （in mass） is 0.023 W · m^-1 · K^-1 at 1 000 ℃,the appropriate thickness of the nanoporous thermal insulating material lined in ladle is ≤ 5 mm and the average temperature of the ladle outside surface when lined with the nanoporous thermal insulating material is 95 ℃ lower than that with the ordinary thermal insulating material.

Progress in the Physisorption Characterization of Nanoporous Gas Storage Materials

评估纳米多孔材料的吸附性能并确定它们的结构表征,对于将这类材料用于包括气体储存在内的许多应用至关重要。气体吸附法可用于此表征,因为它可以评估从微孔到中孔的各种孔径。在过去的20年中,关于有序纳米多孔材料中流体的吸附和相行为的知识以及基于统计力学的最先进的方法的创新和发展,如分子模拟和密度泛函理论,都取得了重大进展。再结合高分辨率的亚临界和超临界流体吸附实验程序,使物理吸附结构表征取得了显著进步。笔者不仅讨论了流体在具有明确孔隙结构的各种纳米多孔材料中基础吸附机理的一些重要和中心特征,还讨论了这些特征对促进物理吸附表征和储存气体应用的重要性。

A Biomimetic Model of Fiber-reinforced Composite Materials

In thjs paper. bamboo fiber has been. on micro scale. investigated as a helical. multi-layered hollow cylinder, the stiffness featu res of bamboo bast fiber were compared with those of a multifilament yarn in traditional fiber-reinforced composite materials, Moreover. a biomimetic model of the reinforce ment of fiber-reinforced composite materials was proposed by imitating the fine structure of bamboo bast fiber. The results show that the comprehensive stiffness properties of the cornplicated fine struc ture of bamboo fiber is superior over those of traditional fiber-reinforced composites.

The Self-assembling and Application of Inorganic Anti-bacterial Material Made of Natural Nanoporous Carrier

The inorganic antimicrobial material was inhibited to the microbes with the added metal ion,Zn.The primary wet product carrying 5%-10% zinc ion was generated under the following conditions：temperature was 95 ℃,solution zinc concentration was 1.2-2.0 mol/L,and the ratio of Zn solution to zeolite weight was 5：1.The final stable product was manufactured after baking in an oven for 1-3 h at the temperature of 500-900 ℃.The baked material was tested for its disinfection effectiveness and coloring effect when mixed with paint coating.Based on the final batch of tests,the zinc content of this anti-microbial product was further optimized.

A novel nanoporous Mg-Li material for efficient hydrogen generation

Hydrogen generation material is a new kind of energy material that can supply hydrogen by reacting with water and is drawing more and more attention with the development of hydrogen economy. In this study, a novel nanoporous magnesium-lithium material prepared by a physical vapor deposition method exhibits an excellent hydrogen generation property. It generates hydrogen efficiently and quickly with saltwater, reaching a hydrogen generation amount of 962 mL g^(-1) and hydrogen generation rates of 60 mL g^(-1)min^(-1), 109 mL g^(-1)min^(-1),256 mL g^(-1)min^(-1) and 367 mL g^(-1)min^(-1) at 0 ℃, 25 ℃, 35 ℃ and 50 ℃, respectively. The nanoporous magnesium-lithium material is composed of a solid solution phase with a magnesium-lithium atomic ratio of 17:3. By synchrotron radiation analysis, the sizes of the nanopores are in the range of 100 nm ~ 600 nm with an average size of 280 nm, and the porosity is calculated to be ~42.4%. The improved hydrogen generation property is attributed to the nanoporous structure with a high specific surface area, and the addition of lithium element which acts as active sites in hydrogen generation process.

Novel nanoporous palladium catalyst for electroreduction of hydrogen peroxide

Titanium-supported nanoporous palladium catalyst （Pd/Ti） was prepared by a hydrothermal method using PdC12 as a precursor, ethylenediamine tetraacetic acid （EDTA） as a ligand, and formaldehyde as a reduction agent. Complex Pd-EDTA^2- is favorable for the formation of Pd particles with nanoscale sizes. The electroactivity of the Pd/Ti catalyst towards the electroreduction of hydrogen peroxide in 1 mol/L NaOH solution was evaluated by voltammetric techniques. Both linear scan voltammetric and chronoamperometric data present significantly large steady-state reduction current density of the hydrogen peroxide electroreduction on the prepared Pd/Ti catalyst. The results show that the prepared Pd/Ti catalyst is an effective electrocatalyst for the electroreduction of hydrogen peroxide in alkaline media.

INFLUENCE OF LOADING RATE ON DYNAMIC FRACTURE BEHAVIOR OF FIBER-REINFORCED COMPOSITES

The effect of loading rate on the dynamic fracture properties and the failure mechanisms of glass fiber-reinforced composite materials under mode I fracture is studied. Dynamic reflective caustic experiments are carried out for two loading rates. By measuring the characteristic dimensions of the shadow spots during the caustic experiments, the dynamic SIFs are calculated for different loading rates. The experimental results indicate that the dynamic fracture toughness Kid increases remarkably with increasing loading rate, and the crack grows faster under the high-velocity impact. Moreover, by examining the crack growth routes and the fracture surfaces, it is shown that the loading rate also greatly affects the failure mechanisms at micro-scale.

Preparation and characterization of barium strontium titanate/silicon nanoporous pillar array composite thin films by a sol-gel method

Barium strontium titanate （Ba0.5Sr0.5TiO3, BST）/silicon nanoporous pillar array （Si-NPA） thin films were prepared by a spin-coating/annealing technique based on Si-NPA with micro/nano-structure. Both the isomer conversion of acetylacetone and the network structure combined by enol and Ti-alkoxide facilitate the formation of the BST sol and the subsequent crystallization. Before the perovskite BST begins to form, the intermediate phase （Ba, Sr）Ti2OsCO3 is found. The boundary between BST and Si-NPA is of clarity and little interface diffusion, disclosing that Si-NPA is an ideal template substrate in the preparation of multifunctional composite films.

Microstructure and properties evolution of in-situ fiber-reinforced Ag-Cu-Ni-Ce alloy during deformation and heat treatment

Silver-based alloys are significant light-load electrical contact materials(ECMs).The trade-off between mechanical properties and electrical conductivity is always an important issue for the development of silver-based ECMs.In this paper,we proposed an idea for the regulation of the mechanical properties and the electrical conductivity of Ag-11.40Cu-0.66Ni-0.05Ce(wt%)alloy using in-situ composite fiber-reinforcement.The alloy was processed using rolling,heat treatment,and heavy drawing,the strength and electrical conductivity were tested at different deformation stages,and the microstructures during deformation were observed using field emission scanning electron microscope(FESEM),transmission electron microscope(TEM)and electron backscatter diffraction(EBSD).The results show that the method proposed in this paper can achieve the preparation of in-situ composite fiber-reinforced Ag-Cu-Ni-Ce alloys.After the heavy deformation drawing,the room temperature Vickers hardness of the as-cast alloy increased from HV 81.6 to HV 169.3,and the electrical conductivity improved from 74.3%IACS(IACS,i.e.,international annealed copper standard)to 78.6%IACS.As the deformation increases,the alloy strength displays two different strengthening mechanisms,and the electrical conductivity has three stages of change.This research provides a new idea for the comprehensive performance control of high-performance silver-based ECMs.

Method of Formation of Waveguides on the Basis of Any Polymeric Materials

This paper describes a new type of polymeric waveguides which has the core, cladding medium and active nodes made from the same material. Part of the polymer is removed in cladding medium by formation of nanopores. The pores can be filled with liquid crystals (LC) in order to create an active composite medium needed for electrically controlled nodes formation.

Nanoporous metal organic framework materials for hydrogen storage

Hydrogen is expected to play an important role in future transportation as a promising alternative clean energy source to carbon-based fuels. One of the key challenges to commercialize hydrogen energy is to develop appropriate onboard hydrogen storage systems, capable of charging and discharging large quantities of hydrogen with fast enough kinetics to meet commercial requirements. Metal organic framework （MOF） is a new type of inorganic and organic hybrid nanoporous particulate materials. Its diverse networks can enhance hydrogen storage through tuning the structure and property of MOFs. The MOF materials so far developed adsorb hydrogen through weak dispersion interactions, which allow significant quantity of hydrogen to be stored at cryogenic temperatures with fast kinetics. Novel MOFs are being developed to strengthen the interactions between hydrogen and MOFs in order to store hydrogen under ambient conditions. This review surveys the development of such candidate materials, their performance and future research needs.

NANOPOROUS MATERIALS BASED ON SPIROKETAL AND SPIROTHIOKETAL POLYMERS FOR SEPARATING METHANOL-TOLUENE MIXTURE

Organic microporous materials based on spiroketal and spirothioketal polymers were synthesized through 1,3- dioxol-forming polymerization reaction between pentaerythritol or pentaerythritol tetrathiol and different types of cyclohexa- 1,4-dione derivatives. The structure of the prepared polymers was confirmed by NMR spectroscopy and molecular mass measurements. Nitrogen adsorption/desorption isotherms of the prepared polymers show a large amount of nitrogen adsorbed at low relative pressure indicating microporosity. These polymers have Brunauer Emmitt and Teller （BET） surface areas in the range from 492 （m^2g^-1） to 685 （m^2 g^-1）. The prepared polymers were found to be useful for pervaporation separation of methanol-toluene mixture with a separation factor up to 12.5 and fluxes, varying between 6.7×10-3 kg/（m^2 h） and 13.4 × 10^-3 kg/（m^2 h）.

Noise in nanopore sensors: Sources, models, reduction, and benchmarking

Label-free nanopore sensors have emerged as a new generation technology of DNA sequencing and have been widely used for single molecule analysis.Since the firstα-hemolysin biological nanopore,various types of nanopores made of different materials have been under extensive development.Noise represents a common challenge among all types of nanopore sensors.The nanopore noise can be decomposed into four components in the frequency domain(1/f noise,white noise,dielectric noise,and amplifier noise).In this work,we reviewed and summarized the physicalmodels,origins,and reduction methods for each of these noise components.For the first time,we quantitatively benchmarked the root mean square(RMS)noise levels for different types of nanopores,demonstrating a clear material-dependent RMS noise.We anticipate this review article will enhance the understanding of nanopore sensor noises and provide an informative tutorial for developing future nanopore sensors with a high signal-to-noise ratio.

Nanoporous black silver film with high porosity for efficient solar steam generation

Given the challenges brought by the shortage of freshwater resources,solar water evaporation has been regarded as one of the most promising technologies for harnessing abundant sunlight to harvest clean water from the sea.Nanostructured metals have attracted extensive attention in solar water evaporation due to their localized surface plasmon resonance effect,but highly porous metallic films with high evaporation efficiency are challenging.Herein,a self-supporting black nanoporous silver(NP-Ag)film was fabricated by dealloying of an extremely dilute Al99Ag1 alloy.The choice of the dilute precursor guarantees the formation of the NP-Ag film with high porosity(96.5%)and low density(0.3703 g·cm^(-3),even smaller than the lightest metal lithium).The three-dimensional ligament-channel network structure and the nanoscale(14.6 nm)of ligaments enable the NP-Ag film to exhibit good hydrophilicity and broadband absorption over 200‒2,500 nm.More importantly,the solar evaporator based on the NP-Ag film shows efficient solar steam generation,including the efficiency of 92.6%,the evaporation rate of 1.42 kg·m^(-2)·h^(-1)and good cycling stability under one sun irradiation.Moreover,the NP-Ag film exhibits acceptable seawater desalination property with the ion rejection for Mg^(2+),Ca^(2+),K^(+)and Na^(+)more than 99.3%.Our findings could provide a new idea and inspiration for the design and fabrication of metal-based photothermal films in real solar evaporation applications.

脱合金制备纳米多孔金属在植入领域研究进展

纳米多孔金属因其特殊的结构带来的优异性能,在催化和能源等领域得到了广泛的应用。在医用植入领域,具有微/纳米尺度双连续多孔结构的仿生材料也逐渐引起重视,但目前传统的成型工艺很难实现该类结构的制备。近年来,由于纳米多孔金属与人体骨骼中的多孔结构类似且具有良好的综合性能,开始被尝试引入医用植入领域以获得新型金属植入材料。现有研究发现,纳米多孔结构的金属材料在力学与生物学上均有着相对较好的性能表现,故在植入领域有着极大的应用潜力。聚焦于脱合金制备纳米多孔金属,系统综述了该类纳米多孔金属在植入领域的研究进展。首先介绍了常见的金属植入材料,然后重点阐述了脱合金法制备纳米多孔金属植入材料的具体制备工艺,并基于所制备的纳米多孔金属具有的结构特征列举了该类结构金属在植入领域的具体应用形式,最后对纳米多孔金属在植入领域的发展前景进行了展望。

SiO_(2)纳米孔绝热材料研究进展

纳米孔绝热材料是一种理想的保温隔热材料,目前SiO_(2)纳米孔绝热材料是研究最多的纳米孔绝热材料。综述了SiO_(2)气凝胶基绝热复合材料和气相SiO_(2)纳米粉末基绝热复合材料的研究进展,指出了材料制备及使用过程中存在的问题,并对未来SiO_(2)纳米孔绝热材料的发展进行了展望。

基于多孔硅纳米线的含能材料的制备及性能调控

纳米多孔硅由于其海绵状的孔隙结构,氧化剂很难充分填充,导致多孔硅复合含能材料多为富燃料体系;同时其孔隙率难以调节,无法精确控制氧燃比。针对以上问题,以紧密排列的单层聚苯乙烯微球为模板,通过反应性离子刻蚀(Reaction Ion Etching,RIE)技术结合金属辅助化学刻蚀(Metal-Assisted Chemical Etching,MACE)制备得到了形貌结构可控的多孔硅纳米线,通过控制RIE时间能够精准调节多孔硅复合体系的氧燃比,同时二维线状结构非常有利于氧化剂的高效填充。结果表明,在RIE时间为80s,即硅纳米线直径为150nm左右时,复合含能体系达到最佳化学计量反应平衡,能量输出最佳。同时,选用不同电阻率的硅片制备得到不同结构形貌的硅纳米线,电阻率越低,纳米复合含能体系中的硅纳米线结构越疏松多孔,不仅能够有效缩短传质传热距离,降低反应活化能,有利于增强反应放热;而且能提升燃烧性能,有利于点火,为硅基含能材料的发展提供了新的思路。

共价有机框架作为通道材料的有机电化学晶体管的制备及性能

有机电化学晶体管(OECT)由于具有器件制造简单、可拉伸、相对较低的工作电压和良好的开关电流比等优点,被广泛应用于生物医学、环境监测、保健产品、水处理和食品检测等领域。然而有机电化学晶体管材料往往受限于沟道材料的低化学稳定性以及低电子和离子迁移率等。共价有机框架(COF)由于具有稳定的共价键、良好的面内π-π共轭以及面外有序结构有望成为新一代的OECT沟道材料。文章通过一种表面引发方法在硅片表面原位生长COF薄膜,并用于OECT器件的组装,具有约100倍的开关比、0.4 V的低阈值电压和0.53 cm^(2)(V·s)的场效应迁移率。该研究结果为共价有机框架薄膜应用于电子器件领域拓宽了道路。