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.

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）.

Progress in the Physisorption Characterization of Nanoporous Gas Storage Materials

Assessing the adsorption properties of nanoporous materials and determining their structural characterization is critical for progressing the use of such materials for many applications, including gas storage. Gas adsorption can he used for this characterization because it assesses a broad range of pore sizes, from micropore to mesopore. In the past 20 years, key developments have been achieved both in the knowledge of the adsorption and phase behavior of fluids in ordered nanoporous materials and in the creation and advancement of state-of-the-art approaches based on statistical mechanics, such as molecular sim- ulation and density functional theory. Together with high-resolution experimental procedures for the adsorption of suhcritical and supercritical fluids, this has led to significant advances in physical adsorp- tion textural characterization. In this short, selective review paper, we discuss a few important and central features of the underlying adsorption mechanisms of fluids in a variety of nanoporous materials with well-defined pore structure. The significance of these features for advancing physical adsorption charac- terization and gas storage applications is also discussed.

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.

Unsupported nanoporous palladium‐catalyzed chemoselective hydrogenation of quinolines:Heterolytic cleavage of H_2 molecule

An efficient and highly chemoselective heterogeneous catalyst system for quinoline hydrogenation was developed using unsupported nanoporous palladium(PdNPore).The PdNPore‐catalyzed chemoselective hydrogenation of quinoline proceeded smoothly under mild reaction conditions(low H2 pressure and temperature)to yield 1,2,3,4‐tetrahydroquinolines(py‐THQs)in satisfactory to excellent yields.Various synthetically useful functional groups,such as halogen,hydroxyl,formyl,ethoxycarbonyl,and aminocarbonyl groups,remained intact during the quinoline hydrogenation.No palladium was leached from PdNPore during the hydrogenation reaction.Moreover,the catalyst was easily recovered and reused without any loss of catalytic activity.The results of kinetic,deuterium‐hydrogen exchange,and deuterium‐labeling experiments indicated that the present hydrogenation involves heterolytic H2 splitting on the surface of the catalyst.

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.

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.

Radial artery access site complications during cardiac procedures,clinical implications and potential solutions: The role of nitric oxide

Percutaneous coronary intervention for the treatment of coronary artery disease is most commonly performed in the UK through the radial artery,as this is considered to be safer than the femoral approach.However,despite improvements in technology and techniques,complications can occur.The most common complication,arterial spasm,can cause intense pain and,in some cases,procedural failure.The incidence of spasm is dependent on several variables,including operator experience,artery size,and equipment used.An antispasmolytic cocktail can be applied to reduce spasm,which usually includes an exogenous nitric oxide(NO)donor(glyceryl trinitrate).NO is an endogenous local vasodilator and therefore is a potential target for anti-spasm intervention.However,systemic administration can result in unwanted side-effects,such as hypotension.A method that adopts local delivery of NO might be advantageous.This review article describes the mechanisms involved in radial artery spasm,discusses the advantages and disadvantages of current strategies to reduce spasm,and highlight the potential of NO-loaded nanoporous materials for use in this setting.

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.

Engineering graphene for high-performance supercapacitors: Enabling role of colloidal chemistry

The high electrical conductivity and high specific surface area of graphene are traditionally regarded as the most intriguing features for its promise as the electrode material for supercapacitors. In this perspective, we highlight that from the engineering point of view, the unique colloidal chemistry of chemically functionalized graphene is the key property that has made graphene stand out as a promising nanoscale building block for constructing unique nanoporous electrodes for capacitive energy storage, We present several examples to demonstrate bow the non-covalent colloidal forces between graphene sheets can be harnessed to engineer the nanostructure of graphene-based bulk electrodes for supercapacitors based on both the electrical double layer storage and the redox reaction or pseudo-capacitance mechanisms. The colloidal engineering strategy can be extended to enable other nanomaterials to achieve high energy storage performance.

Analysis of the Interaction of Pulsed Laser with Nanoporous Activated Carbon Cloth

Interaction of pulsed transversely excited atmospheric （TEA） CO2-1aser radiation at 10.6 μm with nanoporous activated carbon cloth was investigated. Activated carbon cloth of different adsorption characteristics was used. Activated carbon cloth modifications were initiated by laser pulse intensities from 0.5 to 28 MW/cm^2, depending on the cloth adsorption characteristics. CO2 laser radiation was effectively absorbed by the used activated carbon cloth and largely converted into thermal energy. The type of modification depended on laser power density, number of pulses, but mostly on material characteristics such as specific surface area. The higher the surface area of activated carbon cloth, the higher the damage threshold.

One-step solution combustion synthesis of micro-nano-scale porous Cu/CeO_(2)with enhanced photocatalytic properties

The Cu/CeO_(2)nanoporous composite material was prepared via a one-step and energy-saving method of solution combustion synthesis(SCS).The phase composition,surface morphology and optical characteristics of Cu/CeO_(2)were studied.The results show that the SCS products are composed of cubic fluorite CeO_(2)and Cu.Due to the generation and escape of gas during the synthetic reaction,the SCS CeO_(2)shows porous structure,in which the mesopores(diameter 10-17 nm)nest in the wall of large pores(diameter80-300 nm).X-ray photoelectron spectroscopy(XPS)outcomes indicate that the oxygen vacancy concentration of CeO_(2)increases(18.97%-30.93%)with the increase of Cu concentration.The decoration of Cu greatly enhances the catalytic activity of CeO_(2)nanomaterials.30 wt%Cu/CeO_(2)composite material shows the best photocatalytic activities for the degradation of methyl orange(MO)(95.99%),which is about 4.3times that of CeO_(2)at the same time(120 min).UV-vis diffuse reflectance spectroscopy(DRS)results show that the semiconductor band gap is reduced with the addition of metallic Cu,which leads to the enhancement of photocatalytic activity.The free radical trapping experiments demonstrate that·O_(2)-and h+are the main active species in the photocatalytic degradation of MO.Based on the above results,a hypothesized mechanism for enhanced photocatalysis of Cu/CeO_(2)nanomaterials was proposed:the porous structure provides more reactive sites and channels for mass transfer,and the presence of metallic Cu improves the oxygen vacancy concentration of CeO_(2)and then promotes charge-carrier separation,which helps enhance the photocatalytic performance of Cu/CeO_(2).

Activated graphene with tailored pore structure parameters for long cycle-life lithium-sulfur batteries

Activated graphene （AG） with various specific surface areas, pore volumes, and average pore sizes is fabricated and applied as a matrix for sulfur. The impacts of the AG pore structure parameters and sulfur loadings on the electrochemical performance of lithium-sulfur batteries are systematically investigated. The results show that specific capacity, cycling performance, and Coulombic efficiency of the batteries are closely linked to the pore structure and sulfur loading. An AG3/S composite electrode with a high sulfur loading of 72 wt.% exhibited an excellent long-term cycling stability （50% capacity retention over 1,000 cycles） and extra-low capacity fade rate （0.05% per cycle）. In addition, when LiNO3 was used as an electrolyte additive, the AG3/S electrode exhibited a similar capacity retention and high Coulombic efficiency （-98%） over 1,000 cycles. The excellent electrochemical performance of the series of AG3/S electrodes is attributed to the mixed micro/mesoporous structure, high surface area, and good electrical conductivity of the AG matrices and the well-distributed sulfur within the micro/mesopores, which is beneficial for electrical and ionic transfer during cycling.

Anodic-biased titania nanotube growth in low-dielectric viscous media

The influence was investigated of aqueous electrolytes and organic-based electrolytes on nanopore growth.To create well-defined nanotubes with a high aspect ratio,it is important to maintain equilibrium between field-assisted metal oxide dissolution and field-assisted water dissociation,which influence the temperature and pH levels in TiO_(2) nanotubes(TiO_(2) NTs).This sought after balance in the net reactions of the TiO_(2) NT growth can be achieved by choosing the appropriate electrolytes that are a relatively low dielectric viscous media.Viscosity(η)and dielectrics(ε)can be a priority in designing the experiment since it is closely related to joule-heating,diffusion-driven metal ions dissolution and chemical etching of the metal oxide.Solvation and the hydrogen bonding ability are inter-correlated to the stability of the[TiF_(6)]^(2-) complex.In order to examine various electrolyte effects on the anodic-biased nanotube,different categories of electrolytes,each with different viscosity and dielectric properties,were incorporated in this study.