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1.
An important challenge facing K-ion batteries lies in exploring earth-abundant and safe cathode materials that can provide high capacity with high migration rate of K ions.Here,we propose a simple and efficient method for searching potential K cathode materials with first principles calculations.Our screening is based on combinations of weight capacity,K ion occupation ratio,volume change per K,and valence limit.With this screening method we predicted a series of potential K ions cathodes with favorable electrochemical performance,such as K2VPO4CO3-like structures with 1 D diffusion channels,3 D channel structures K2CoSiO4,layered materials KCoO2,KCrO2,KVF4 and K5V3F14,and others.These potential cathodes have small volume changes,suitable voltage,and high capacity,with small diffusion barriers.They may be useful in K-ion batteries with high energy density and rate performance.  相似文献   

2.
Artificial base pairs,from the perspective of synthetic biology,are designed to contain the features of modularity,orthogonality,and manipulability.And the development of artificial base pairs has beat endowed with responsibility to understand the biological process,improve the recognition capacity and stability of aptamers,and develop the nucleoside drugs,diagnosis,and drag delivery.In this review,we first gave a concise introduction of artificial base pairs based on their interaction modes including alternative hydrogen bonding,hydrophobic interaction,and metal coordination.Then we displayed the detailed information of artificial base pairs with hydrogen bonding interaction,and analyzed how the changes of their structures affect their functions.Subsequently,we highlighted the applications of functional artificial base pairs in aptamer discovery,diagnosis,and drug delivery.Finally,an insight into the remaining challenges and future perspective of the artificial bases was provided.  相似文献   

3.
Inefficient electrocatalysts and high-power consumption are two thorny problems for electrochemical hydrogen(H2)production from acidic water electrolysis.Herein we report the one-pot precise synthesis of ultrafine Au core-Pt Au alloy shell nanowires(Au@PtxAu UFNWs).Among them,Au@Pt0.077 Au UFNWs exhibit the best performance for formic acid oxidation reaction(FAOR)and hydrogen evolution reaction(HER),which only require applied potentials of 0.29 V and-22.6 m V to achieve a current density of 10 m A cm-2,respectively.The corresponding formic acid electrolyzer realizes the electrochemical H2 production at a voltage of only 0.51 V with 10 m A cm-2 current density.Density functional theory(DFT)calculations reveal that the Au-riched Pt Au alloy structure can facilitates the direct oxidation pathway of FAOR and consequently elevates the FAOR activity of Au@Pt0.077 Au UFNWs.This work provides meaningful insights into the electrochemical H2 production from both the construction of advanced bifunctional electrocatalysts and the replacement of OER.  相似文献   

4.
有中学化学参考资料题:0.10 mol/L的NH4Cl和(NH4)2SO4溶液哪个pH值高?这似乎是个中学生可做的简单题目,仔细考虑不是如此.如果简单地认为盐酸和硫酸都是强酸,而硫酸是二元酸,硫酸铵溶液中铵盐浓度为0.20 mol/L,那么NH4Cl溶液pH高,那是不妥的.硫酸是二元酸,第一个氢离子能完全电离,第二个氢离子部分电离,如此考虑情况怎么样呢?是不是答案发生变化?这要通过计算来说明.  相似文献   

5.
Layered Li-rich Mn-based oxides are promising cathode materials for Li-ion batteries due to their high capacity and high operation voltage.However,their commercial applications are hindered by irreversible capacity loss in the first charge-discharge process,voltage decay during cycling,inefficient cyclability and rate capability.Many attempts have been performed to solve such issues,including the mechanism study and strategies to improve the electrochemical performance.This article provides a brief review and future perspective on the main challenges of the high-capacity Li-rich Mn-based cathodes for Li-ion batteries.  相似文献   

6.
The perovskite transition metal oxide(TMO) has been considered in electrocatalysis for the modern clean energy technologies as its high electrochemical activity and low cost. The atomic scale engineering to the local stoichiometry of single crystal TMO provides a clue of the relation between electronic structure and catalytic performance. Here we report a hydrogen evolution reaction(HER) activity enhancement ~ 1761% of Bi0.85Sr0.15FeO_3 compared to the pure BiFeO_3. By the systemic investigation of the Sr doping level of Bi1-xSr_xFeO_3(BSFO), it is found that the HER enhancement originates from the improvement of ferromagnetism of BSFO without obvious scarification of the ferroelectricity at the room temperature. The multiple ferroic orderings in BSFO are beneficial for HER activity, which offers the strengthen of hybridization of Fe 3d and O2 p orbitals from the view of ferromagnetism, and the assistance of electron drift by spontaneous electric polarization. Our study not only affords the strategy of developing multiple ferroic orderings in TMO, but also facilitates the atomic scale understanding of the improved HER activity.  相似文献   

7.
The aqueous rechargeable Zn-ion batteries based on the safe,low cost and environmental benignity aqueous electrolytes are one of the most compelling candidates for large scale energy storage applications.However,pursuing suitable insertion materials may be a great challenge due to the strong electrostatic interaction between Zn^(2+)and cathode materials.Hence,a novel NaV6O15/V2O5 skin-core heterostructure nanowire is reported via a one-step hydrothermal method and subsequent calcination for high-stable aqueous Zn-ion batteries(ZIBs).The NaV6O15/V2O5 cathode delivers high specific capacity of 390 m Ah/g at 0.3 A/g and outstanding cycling stability of 267 m Ah/g at 5 A/g with high capacity retention over 92.3%after 3000 cycles.The superior electrochemical performances are attributed to the synergistic effect of skin-core heterostructured NaV6O15/V2O5,in which the sheath of NaV6O15 possesses high stability and conductivity,and the V2O5 endows high specific capacity.Besides,the heterojunction structure not only accelerates intercalation kinetics of Zn2+transport but also further consolidates the stability of the layers of V2O5 during the cyclic process.This work provides a new perspective in developing feasible insertion materials for rechargeable aqueous ZIBs.  相似文献   

8.
杨周  张文华 《催化学报》2014,35(7):983-988
正1.Introduction We have recently witnessed a breakthrough in highly effi-cient solar cells, where the organolead halide perovskite, CH3NH3PbI3, was used as an absorber of sunlight. The perov-skite was used to sensitize mesoporous TiO2 films in a solid-state mesoscopic solar cell to deliver a power conversion  相似文献   

9.
李俊生 《化学教育》2007,28(7):61-62
长期以来人们一直认为金属钠保存在煤油中是因为金属钠的密度比煤油的密度大且金属钠和煤油不发生化学反应的缘故,因此在教学中形成一个教师都默认学生也认可的事实,这个事实就是金属钠能保存在煤油中有2点原因:  相似文献   

10.
The effect of electrolytes on the micellar behavior of an amphiphilic drug,chlorpromazine(CPZ)hydroehloride,was studied using cloud point(CP)and dye solubilization techniques.In the presence of KBr,increase because of deprotonation of drug molecules at high pH. The visible absorbance increased(due to dye solubilization)with the increase in pH from 6.5 to 6.9,which indicated micellar growth.At fixed pH(6.7),addition of inorganic salts(KF,KC1,effecfiveness being in the order:F-Na >K ,which Was explained by considering cognizance of their hydrated radii.Compared with anions,their effect was small.Increase in[CPZ]caused micellar growth and hence the CP as well as the visible absorbance increased.The overall behavior Was discussed in terms of electrostatic interactions and micellar growth.  相似文献   

11.
聚丙烯酰胺稀溶液的分子模拟   总被引:2,自引:0,他引:2  
聚丙烯酰胺(PAM)是一类重要的线性水溶性聚合物,具有"百业助剂"之称,因此对其溶液性质的研究意义重大.在溶液质量浓度约为1g·mL-1的基础上,分别构建了含有不同水分子数的溶液模型.采用分子动力学(MD)方法模拟分析了不同温度下非离子型的聚丙烯酰胺(PAM-H)和阴离子型的聚丙烯酰胺(HPAM)在纯水溶液及含不同质量分数NaCl的水溶液中的回旋半径(Rg).结果发现,不同温度下PAM-H和HPAM的抗盐性能的模拟结果与实验数据基本吻合,水分子数不同的溶液模型所得模拟结果趋势没有明显变化,为了提高模拟效率,选取含有2000个水分子的溶液模型分析HPAM链中氧负离子及氧原子的径向分布函数,从微观结构模拟说明了HPAM水溶液粘度随NaCl质量分数增加而减小,且HPAM比PAM-H具有较好的增粘效果及较差的抗盐性能的原因.  相似文献   

12.

Most water in the world is as saline water in seas and oceans. Desalination technology is a promising method to solve the global water crisis. Recently, many attentions have been paid to the graphene-based membranes in water desalination due to their low production cost and high efficiency. In this paper, molecular dynamics simulations are employed to investigate the effect of functionalized graphene nanosheet (GNS) membranes on the performance of salt separation from seawater in terms of water permeability and salt rejection. For this purpose, the hydrogenated (–H) and fluorinated (–F) pores were created on the GNS membrane. Then, the functionalized graphene membrane was placed in the middle of the simulation box in an aqueous ionic solution containing Na+ and Cl? ions. The applied pressure (in the range of 10–100 MPa) was used as the driving force for transport of water molecules across the reverse osmosis (RO) graphene-based membrane in order to obtain the water permeability and salt rejection. Also, radial distribution functions (RDFs) of ion–water and water–water as well as the water density map around the membrane were obtained. The results indicated that the hydrophilic chemical functions such as fluorine (–F) can improve the water permeability at low pressures.

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13.
Reverse osmosis (RO) membrane technology is widely employed to address the demands for freshwater. In this study, fabrication and performance evaluation of customized RO membranes comprised of Matrimid and polyacrylonitrile (PAN) is carried out. While exploring adoption of slip coating procedure, the effects of various modification techniques including incorporation of TiO2 nanoparticles and polyethylene glycol (PEG) into the skin layer as well as cross‐linking were investigated. The individual and combined effects of parameters on membrane morphology, surface characteristics and performance were also examined. Despite the distinctive characteristics of involved materials, delamination‐free composite membranes were successfully formed with an intimate contact at the interface of two layers. The results also indicated that increasing concentration of Matrimid in dope solution led to increase in membrane thickness and consequently decline in water flux. In the best case, membrane prepared using 1 wt.% Matrimid in dope exhibited water flux of 0.98 LMH and NaCl rejection of 95.7%. Also, incorporation of 3 wt.% TiO2 nanoparticles offered membranes with improved water flux of 1.37 LMH and salt rejection of 95.8%. On the other hand, water flux and salt rejection in membranes containing 5 wt.% PEG were 1.18 LMH and 96.2%, respectively. The co‐presence of both nanoparticles and PEG provided more insights about the contributing factors in tuned membranes. Modification of skin layer by cross‐linking significantly improved salt rejection at the expense of water flux. The results are scientifically interpreted and compared to the values reported in literature.  相似文献   

14.
N,N′-二甲基乙酰胺(DMAc)作为共试剂添加在间苯二胺水溶液中参与界面聚合反应, 以改善聚酰胺复合反渗透膜(PA-RO-x, x代表添加DMAc的质量分数)的性能. X射线光电子能谱(XPS)和衰减全反射傅里叶红外光谱(ATR-FTIR)分析表明, 随着DMAc含量的增加, 复合膜结构中交联聚酰胺含量相对于线性羧基部分有所增加; 场发射扫描电子显微镜(FE-SEM)和原子力显微镜(AFM)表征结果显示, 随着DMAc含量的增加, 膜表面的粗糙程度逐渐增大; 静态水接触角测试结果表明, 添加DMAc后, 膜的亲水性增强. 结合上述测试结果发现, 添加DMAc可以有效降低水油两相的不相溶性, 提高水相中间苯二胺向正己烷中扩散的速率, 这有助于加快间苯二胺与均苯三甲酰氯反应; 同时, 聚酰胺结构中交联酰胺含量的增加可以提供更多的氢键位点, 有助于水分子快速渗透通过复合膜而不损失截盐率; 膜表面的粗糙程度变大, 有助于提高水通量. 在2 g/L的氯化钠溶液和1.6 MPa测试压力条件下, PA-RO-5.2(DMAc添加质量分数为5.2%)的渗透通量和截盐率分别为66.1 L/(m2·h)和98.7%, 与未添加DMAc的聚酰胺复合反渗透膜相比, 通量增加115%, 截盐率仅下降0.9%.  相似文献   

15.
The hydrophobic interaction between two methane molecules in salt-free and high salt-containing aqueous solutions and the structure in such solutions have been investigated using an atomistic model solved by Monte Carlo simulations. Monovalent salt representing NaCl and divalent salt with the same nonelectrostatic properties as the monovalent salt have been used to examine the influence of the valence of the salt species. In salt-free solution the effective interaction between the two methane molecules displayed a global minimum at close contact of the two methane molecules and a solvent-separated secondary minimum. In 3 and 5 M monovalent salt solution the potential of mean force became slightly more attractive, and in a 3 M divalent salt solution the attraction became considerably stronger. The structure of the aqueous solutions was determined by radial distribution functions and angular probability functions. The distortion of the native water structure increased with ion valence. The increase of the hydrophobic attraction was associated with (i) a breakdown of the tetrahedral structure formed by neighboring water molecules and of the hydrogen bonds between them and (i) the concomitant increase of the solution density.  相似文献   

16.
以玻璃化温度高、强度大、易磺化和耐酸碱的带酞侧基的聚芳醚酮(PEK-C)为支撑膜材料,研究了PEK-C铸膜液组成及复合液配比等对PFT反渗透复合膜(PFT ROCM)制备及其脱盐功能的影响。 试剂与材料 糠醇(FA):化学纯。用前精制,三(2-羟乙基)异氰尿酸酯(THEIC)。熔点134~136℃。聚乙二醇-400(PEG-400):化学纯。DMF,DMAc,N-甲基吡咯烷酮(NMP)为分析纯,经脱水精制。异丙醇、硫酸为分析纯。十二烷基磺酸钠(SLS)化学纯。含酞侧基的聚醚醚酮PEK-  相似文献   

17.
Specific ion effects on the nonlinear optical response from the water molecules at the air/sodium halide solution interfaces are measured using non-resonant surface second harmonic generation (SHG). Procedures have been developed to monitor and remove the impurities in the salt solution samples to ensure measurement of small changes in the SHG signal. Quantitative polarization analysis of the measured SHG data indicated that the average orientation of the interfacial water molecules changed only slightly around 40 degrees with the increase of the bulk concentration of the three sodium halides, namely NaF, NaCl and NaBr, from that of the neat air/water interface. The observed significant SHG signal increase with the bulk salt concentration is attributed to the overall increase of the thickness of the interfacial water molecular layer, following the order of NaBr > NaCl approximately NaF. The absence of the electric-field-induced SHG (EFISHG) effect indicated that the electric double layer at the salt aqueous solution interface is much weaker than that predicted from the molecular dynamics (MD) simulations. These results provided quantitative data to the specific anion effects on the interfacial water molecules of the electrolyte aqueous solution, not only for the larger and more polarizable Br(-) anion, but also for the smaller and less polarizable F(-) and Cl(-) anions.  相似文献   

18.
Formation of stable nanobubbles in aqueous solutions of water-soluble organic molecules is a spontaneous process. Using a combination of laser light scattering (LLS) and zeta-potential measurements, we investigated the effects of salt concentration and pH on their stability in alpha-cyclodextrin (alpha-CD) aqueous solutions. Our results reveal that the nanobubbles are unstable in solution with a higher ionic strength, just like colloidal particles in an aqueous dispersion, but become more stable in alkaline solutions. The zeta-potential measurement shows that the nanobubbles are negatively charged with an electric double layer, presumably due to adsorption of negative OH- ions at the gas/water interface. It is this double layer that plays a critical dual role in the formation of stable nanobubbles in aqueous solutions of water-soluble organic molecules, namely, it not only provides a repulsive force to prevent interbubble aggregation and coalescence but also reduces the surface tension at the gas/water interface to decrease the internal pressure inside each bubble.  相似文献   

19.
The hydrogen bond resonance of a sodium chloride (NaCl) ion pair trapped in aqueous ice has been observed by transmission terahertz time-domain spectroscopy. The absorption peak of a sodium chloride ion pair in ice is 1.65 THz at 83 K. By investigating the interaction of the cation and anion with other chemical compounds, we deduce that the absorption peak originates from the hydrogen bond resonance of sodium chloride and water molecules. The charge redistribution that occurs when other ion pairs are added to aqueous salt solution changes the absorption spectrum. Furthermore, the results also indicate that simple molecules such as sodium halides have fingerprints in the terahertz region when the ions are trapped in ice. NaCl ion pairs in seawater and in Ringer's solution were examined.  相似文献   

20.
Dye desalination is a challenge in the treatment of textile wastewater with high salt concentration. It is imperative to develop salt resistance membrane that is from sustainable materials to effectively treat dye/salt mixtures. And most polymer membrane materials are non-renewable petrochemical resources.In this paper, a green hydrogel membrane(CMCS-OA-Na Alg) was prepared by non-metallic ions of oxalic acid(OA) cross-linking of two natural macromolecules of sodium alginate(Na Alg) and carboxym...  相似文献   

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