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991.
Huang  Yun  Liu  Bo  Cao  Haijun  Lin  Yuanhua  Tang  Shuihua  Wang  Mingshan  Li  Xing 《Journal of Solid State Electrochemistry》2017,21(8):2291-2299
Journal of Solid State Electrochemistry - One novel cage kind of polyhedral ligomeric silsesquioxane (POSS), for modification application of gel polymer electrolyte (GPE) in lithium ion batteries...  相似文献   
992.
Journal of Radioanalytical and Nuclear Chemistry - The graphene oxide (GO) was functionalized with phosphate groups and applied as an effective adsorbent for the removal of uranium from aqueous...  相似文献   
993.
Potential energies of LiS(2Π), LiS-(1Σ+) and LiS+(3Σ-) are calculated by using the multireference configuration interaction method including Davidson correction and the augmented correlation-consistent basis sets aug-cc-PV(X+d)Z (X=T, Q). Such obtained potential energies are subsequently extrapolated to the complete basis set limit. Both the core-valence correction and the relativistic effect are also considered. The analytical potential energy functions are then obtained by fitting such accurate energies utilizing a least-squares fitting procedure. By using such analytical potential energy functions, we obtain the accurate spectroscopic parameters, complete set of vibrational levels and classical turning points. The present results are compared well with the experimental and other theoretical work.  相似文献   
994.
A numerical investigation on the co-pyrolysis of 1,3-butadiene and propyne is performed to explore the synergistic effect between fuel components on aromatic hydrocarbon formation.A detailed kinetic model of 1,3-butadiene/propyne co-pyrolysis with the sub-mechanism of aromatic hydrocarbon formation is developed and validated on previous 1,3-butadiene and propyne pyrolysis experiments.The model is able to reproduce both the single component pyrolysis and the co-pyrolysis experiments,as well as the synergistic effect between 1,3-butadiene and propyne on the formation of a series of aromatic hydrocarbons.Based on the rate of production and sensitivity analyses,key reaction pathways in the fuel decomposition and aromatic hydrocarbon formation processes are revealed and insight into the synergistic effect on aromatic hydrocarbon formation is also achieved.The synergistic effect results from the interaction between 1,3-butadiene and propyne.The easily happened chain initiation in the 1,3-butadiene decomposition provides an abundant radical pool for propyne to undergo the H-atom abstraction and produce propargyl radical which plays key roles in the formation of aromatic hydrocarbons.Besides,the 1,3-butadiene/propyne co-pyrolysis includes high concentration levels of C3 and C4 precursors simultaneously,which stimulates the formation of key aromatic hydrocarbons such as toluene and naphthalene.  相似文献   
995.
The interactions between AgnO-(n=1-8) and H2 (or D2) were explored by combination of the mass spectroscopy experiments and density function theory (DFT) calculations. The experiments found that all oxygen atoms in AgnO-(n=1-8) are inert in the interactions with H2 or D2 at the low temperature of 150 K, which is in contrast to their high reactivity with CO under the same condition. These observations are parallel with the preferential oxidation (PROX) of CO in excess hydrogen catalyzed by dispersed silver species in the condensed phase. Possible reaction paths between AgnO-(n=1-8) and H2 were explored using DFT calculations. The results indicated that adsorption of H2 on any site of AgnO-(n=1-8) is extremely weak, and oxidation of H2 by any kind of oxygen in AgnO-(n=1-8) has an apparent barrier strongly dependent on the adsorption style of the "O". These experiments and theoretical results about cluster reactions provided molecule-level insights into the activity of atomic oxygen on real silver catalysts.  相似文献   
996.
The quantification of three alkaloids is important because quantitative study is a means of assessing the reliability of the experimental method, and three alkaloids of peimine, peiminine, and peimisine are main active ingredients in Chinese Pharmacopoeia 2015. An effective method based on the matrix solid‐phase dispersion microextraction was developed for the extraction of alkaloid compounds in Fritillariae Thunbergii Bulbus. Target analytes were analyzed by capillary electrophoresis coupled with quadrupole time‐of‐flight mass spectrometry. The optimized experimental condition was that 50 mg Fritillariae Thunbergii Bulbus was blended homogeneously with 10 mg citric acid for 5 min. Two hundred microliters of water acidized by 1 mol/L hydrochloric acid (pH = 4.5) was selected to elute tested alkaloids. The results demonstrated that the investigated method had low limits of detection (1.32–1.59 ng/mL), good recoveries (86.63–98.12%), and reproducibility (relative standard deviations of peak areas < 0.87%). The proposed matrix solid‐phase dispersion microextraction coupled with capillary electrophoresis combined with quadrupole time‐of‐flight mass spectrometry was successfully applied for the extraction of alkaloids in plants.  相似文献   
997.
Thermomechanical properties of polymers highly depend on their glass transition temperature (T g). Differential scanning calorimetry (DSC) is commonly used to measure T g of polymers. However, many conjugated polymers (CPs), especially donor–acceptor CPs (D–A CPs), do not show a clear glass transition when measured by conventional DSC using simple heat and cool scan. In this work, we discuss the origin of the difficulty for measuring T g in such type of polymers. The changes in specific heat capacity (Δc p) at T g were accurately probed for a series of CPs by DSC. The results showed a significant decrease in Δc p from flexible polymer (0.28 J g?1 K?1 for polystyrene) to rigid CPs (10?3 J g?1 K?1 for a naphthalene diimide‐based D–A CP). When a conjugation breaker unit (flexible unit) is added to the D–A CPs, we observed restoration of the Δc p at T g by a factor of 10, confirming that backbone rigidity reduces the Δc p. Additionally, an increase in the crystalline fraction of the CPs further reduces Δc p. We conclude that the difficulties of determining T g for CPs using DSC are mainly due to rigid backbone and semicrystalline nature. We also demonstrate that physical aging can be used on DSC to help locate and confirm the glass transition for D‐A CPs with weak transition signals. © 2019 Wiley Periodicals, Inc. J. Polym. Sci., Part B: Polym. Phys. 2019 , 57, 1635–1644  相似文献   
998.
环状芴基张力半导体由于其特殊的分子结构,发射状排布的p轨道和纳米级空腔等诸多特点,引起了科学家广泛的关注.相对于直链型芴基半导体,环状芴基张力半导体展现出独特的光电性质.然而,迄今为止其振动性质没有被报道.对四元环芴的晶体与直链四聚芴粉末样品进行拉曼光谱表征和归一化处理,并结合理论计算.结果表明,与直链寡聚芴相比,环芴类似于碳纳米管的G峰发生了偏移,并且低频区域拉曼频移峰的峰强增加.其原因是由于张力的引入,改变了芴基主链的骨架和电子结构,加强芴骨架上π电子离域,同时使环芴中每个芴单元都参与到振动中.该研究结果为芴基张力半导体材料拉曼光谱的研究提供了一定的工作基础.  相似文献   
999.
Zhou  Shaojie  Li  Shanshan  Cao  Xuesong  Qian  Yi  Li  Long  Chen  Xilei 《Journal of Thermal Analysis and Calorimetry》2019,136(3):1135-1145

CaCO3-containing oil sludge (OS) is a by-product from petroleum industry, with great amount of production. Therefore, an effective processing methods for CaCO3-containing OS is urgently needed. Herein, ethylene-vinyl acetate (EVA) composites based on CaCO3-containing OS and carbon black (CB) were prepared by melt blending method. The combustion behavior and thermal stability of flame-retardant EVA/OS/CB composites were investigated by cone calorimeter test, limiting oxygen index (LOI), scanning electron microscopy (SEM), smoke density test (SDT), and thermogravimetry-Fourier infrared spectrometry. The heat release rate and smoke production rate of the ternary composites containing 3% CB significantly decreased compared with the EVA/OS composites and pure EVA. Moreover, addition of a certain amount of CB could evidently increase LOI values. The morphologies and structures of the residues, revealed by SEM, ascertained that a better carbonaceous protective layer was formed on the ternary composites than the EVA/OS composite. It was obtained from SDT that CB in the material could retard the smoke production with the application of the pilot flame. The EVA/OS/CB composites assumed a higher thermal stability than the EVA/OS composites and pure EVA.

  相似文献   
1000.
The rapid development of renewable-energy technologies such as water splitting, rechargeable metal–air batteries, and fuel cells requires highly efficient electrocatalysts capable of the oxygen-reduction reaction (ORR) and the oxygen-evolution reaction (OER). Herein, we report a facile sonication-driven synthesis to deposit the molecular manganese vanadium oxide precursor [Mn4V4O17(OAc)3]3− on multiwalled carbon nanotubes (MWCNTs). Thermal conversion of this composite at 900 °C gives nanostructured manganese vanadium oxides/carbides, which are stably linked to the MWCNTs. The resulting composites show excellent electrochemical reactivity for ORR and OER, and significant reactivity enhancements compared with the precursors and a Pt/C reference are reported. Notably, even under harsh acidic conditions, long-term OER activity at low overpotential is reported. In addition, we report exceptional activity of the composites for the industrially important Cl2 evolution from an aqueous HCl electrolyte. The new composite material shows how molecular deposition routes leading to highly active and stable multifunctional electrocatalysts can be developed. The facile design could in principle be extended to multiple catalyst classes by tuning of the molecular metal oxide precursor employed.  相似文献   
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