MgO-templated carbon as a negative electrode material for Na-ion capacitors

In this study, MgO-templated carbon with different pore structures was investigated as a negative electrode material for Na-ion capacitors. With increasing the Brunauer–Emmett–Teller surface area, the irreversible capacity increased, and the coulombic efficiency of the 1st cycle decreased because of the formation of solid electrolyte interface layers. MgO-templated carbon annealed at 1000 °C exhibited the highest capacity and best rate performance, suggesting that an appropriate balance between surface area and crystallinity is imperative for fast Na-ion storage, attributed to the storage mechanism: combination of non-faradaic electric double-layer capacitance and faradaic Na intercalation in the carbon layers. Finally, a Na-ion capacitor cell using MgO-templated carbon and activated carbon as the negative and positive electrodes, respectively, exhibited an energy density at high power density significantly greater than that exhibited by the cell using a commercial hard carbon negative electrode.     

铂/酞菁/碳纳米管复合纳米催化剂的构建及其甲醇氧化性能

本文报道了一种方便地构建铂/酞菁/碳纳米管(Pt/Pc/CNTs)复合纳米催化剂的新方法：先通过简单的超声处理将酞菁分子(Pc)修饰至碳纳米管表面,随后采用乙二醇还原法将铂纳米粒子固载到酞菁修饰的碳纳米管表面,形成Pt/Pc/CNTs复合纳米催化剂。X射线衍射(XRD)和透射电镜(TEM)结果表明金属铂纳米颗粒均匀地分散在碳纳米管表面,尺寸约5 nm。采用UV-Vis、FTIR和Raman等手段研究了这种复合纳米催化剂的构建过程,结果表明酞菁分子与碳纳米管之间存在较强的π-π相互作用,使其能牢固地吸附于碳     

Synthesis,characterization and application of Cr2O3 nanoparticles as an efficient antibacterial agent

This study focuses on the microwave-assisted synthesis of Cr₂O₃ nanoparticles for the development of antibacterial materials. Characterization techniques including FT-IR spectroscopy, UV–vis spectroscopy, SEM-EDX, and XRD, were employed to analyze the nanoparticles' properties. The antibacterial efficacy against E. coli, S. aureus, B. subtilis, and P. aeruginosa was evaluated, with significant activity observed against all pathogens, highlighting their potential as antibacterial materials. The novelty of this study lies in the synthesis of Cr₂O₃ nanoparticles and their application as potent antibacterial agents against various pathogens. The results of XRD study concludes the average size of Cr₂O₃ nanoparticles as 49.96 nm. The synthesized Cr₂O₃ nanoparticles demonstrated a good zone of inhibition against E. coli (22 mm), S. aureus (19 mm), B. subtilis (18 mm), and P. aeruginosa (21 mm). The findings of the study suggest that Cr₂O₃NPs have potential as a novel antibacterial agent, and further research in this area could lead to the development of new and effective treatments for bacterial infections.     

Electronic structure of oligoaniline doped by inorganic and organic acids

The electronic structure of doped‐oligoaniline with various dopants is investigated by means of DFT method. After doping by hydrochloric acid (HCl) and camphorsulfonic acid (HCSA), the alternation of bond‐lengths is decreased and the co‐planarity of adjacent aromatic rings is increased. The π‐conjugating effect is increased in the electronic nature of Ph‐N system because the electrons can be delocalized along the backbone of oligoaniline where the hydrogen bonds as a bridge transfer the electrons. The electronic structure of polaron and bipolaron conformation and their relative stability is discussed, indicating that the preferable conformation is dependant on various dopants. The calculation results reveal that there is a relatively stronger interaction between the organic dopant of HCSA and N atoms of PANI, and more charge transfer between PANI and HCSA is a reason for the fact that the conductivity of HCSA‐doped PANI is higher than that of HCl‐doped PANI. The doping mechanism is proposed based on the calculation results. © 2008 Wiley Periodicals, Inc. Int J Quantum Chem, 2008     

Influence of magnesia modification on the properties of copper oxide supported on gamma-alumina

XRD, BET, TPR, UV-vis DRS and in situ FT-IR were employed to investigate the dispersion, reduction and CO(2)-adsorption behaviors of copper oxide supported on magnesia modified gamma-Al(2)O(3) (Mg-Al) samples. The results indicate that magnesia could be highly dispersed on the surface of gamma-Al(2)O(3) to form a monolayer and the dispersion capacity is about 1.55 mmol/(100 m(2)gamma-Al(2)O(3)). For copper oxide supported on Mg-Al samples, both the dispersion capacity and the reduction temperature of surface CuO decrease with the MgO loading. CO(2)-adsorption IR results show that the surface strong basic amount for the catalysts increases with the dispersed MgO loading. In addition, the activity of CO oxidation suggests that the main active species in this system should be small CuO cluster and the existence of dispersed MgO enhances the activity of CO oxidation. The catalysts might be applied in pollution control devices for vehicle exhaust, CO gas sensors, catalytic combustion and gas purification of CO(2) lasers. All the results have been discussed by the consideration of the variation of gamma-Al(2)O(3) surface structure before and after magnesia modification.     

Spontaneous Dimerization of Allenes in Situ: An Efficient Synthesis of Substituted 1,2‐Dimethylenecyclobutanes with High Regio‐ and Stereoselectivities

An intermolecular [2+2] cycloaddition reaction for the synthesis of 1,2‐dimethylenecyclobutane derivatives from the commercially available starting materials aryl acetylenes, nBuLi, formamides, and trimethylsilyl cyanide (TMSCN) has been achieved. This reaction displays high regio‐ and stereoselectivities due to the captodative effect. The mechanism of the reaction has been investigated by the deuterium labeling experiments and DFT calculations.     

分级结构氮掺杂碳纳米笼:高倍率长寿命可充电镁电池正极材料

可充电镁电池成本低、安全性好,是非常有前景的下一代二次电池,其关键之一是开发高性能的正极材料.本工作首次利用分级结构氮掺杂碳纳米笼（hNCNC）作为可充电镁电池的正极材料,展现出高放电比容量（71 mAh·g^-1@100 mA·g^-1）、优异的倍率性能（60 mAh·g^-1@2000 mA·g^-1）和长循环稳定性（1000圈容量保留率83%@1000 mA·g^-1）.hNCNC呈现电容行为主导的储镁机制,理论研究表明镁离子主要吸附在微孔边缘的碳原子、吡啶氮或吡咯氮等活性位点上.其优异储镁性能可归因于：（1） hNCNC的大比表面积（1590 m²·g^-1）、丰富微孔缺陷和高吡啶/吡咯氮含量（4.49 at.%）有效提升了储镁容量;（2） hNCNC的高导电性、多级孔道结构及N掺杂导致的高浸润性有利于电荷传输,降低了电池的等效串联电阻,从而改善了倍率性能;（3） hNCNC的稳定碳骨架结构及其表面吸附储镁机制使其具有优异的长循环稳定性.     

Is the dynamical polarization a significant part of the contribution of the triples to the correlation energy?

One may call dynamical polarization of doubly excited configurations the energy lowering of these configurations under the response of the other electrons to the so-created fluctuation of the electric field. This contribution of triply excited configurations may be identified and calculated through a computation that only requires a computation time proportional to the sixth power of the number of molecular orbitals (MOs), instead of the seventh power for the total contribution of the triples. Its amplitude depends on the choice of the MOs and becomes important when localized MOs are used.     

Advanced supramolecular polymers constructed by orthogonal self-assembly

Large aggregates, constructed by linking together monomer building blocks via non-covalent interactions with polymer properties, are regarded as supramolecular polymers. Many kinds of non-covalent interactions, such as metal-ligand coordination, hydrogen bonding, π-π stacking, ionic interaction, and host-guest interaction etc., can be involved in the binding interactions of monomer building blocks, as well as in the modification of the side chain for the construction of variable supramolecular polymers. In this tutorial review, we summarized the reported supramolecular polymers fully- or partially-created from the combination of multiple non-covalent binding interactions, mainly of two kinds, in the orthogonal way.     

Synthesis, characterization, and catalytic performance of copper-containing SBA-15 in the phenol hydroxylation

A series of copper-containing SBA-15 samples were successfully synthesized via evaporation-induced self-assembly route. The resulting materials were characterized by X-ray diffraction (XRD), (29)Si MAS NMR spectroscopy, transmission electron microscopy (TEM), N(2) sorption, inductively coupling plasma-atomic emission spectrometer (ICP-AES), thermogravimetry, and differential thermal analysis (TG-DTA), Fourier-transform infrared spectroscopy (FT-IR), UV-vis diffuse reflectance spectra (UV-vis) and X-ray photoelectron spectroscopy (XPS). The results indicated that: (1) all the samples exhibited typical hexagonal arrangement of mesoporous structure; (2) copper ions could be incorporated into the framework of SBA-15; (3) the addition of urea in the hydrothermal stage efficiently reduced the leaching of copper and improved the thermal stability of the mesoporous materials. Catalytic performances of the obtained materials were evaluated in the hydroxylation of phenol with H(2)O(2). The catalytic tests showed that the synthesized materials exhibited high activity for this reaction and copper ions in the framework were more active than copper species in the extra-framework position. The nitric acid treatment on the samples removed the bulk CuO species, which resulted in a dramatic increase in the catalytic activity.