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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.
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   

4.
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   

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.
Most of the current analytical methods depend largely on laboratory-based analytical techniques that require expensive and bullky equipment,potentially incur costly testing,and involve lengthy detection processes.With increasing requirements for point-of-care testing(POCT),more attention has been paid to miniaturized analytical devices.Miniaturized electrochemical(MEC)sensors,including different material-based MEC sensors(such as DNA-,paper-,and screen electrode-based),have been in strong demand in analytical science due to their easy operation,portability,high sensitivity,as well as their short analysis time.They have been applied for the detection of trace amounts of target through measuring changes in electrochemical signal,such as current,voltage,potential,or impedance,due to the oxidation/reduction of chemical/biological molecules with the help of electrodes and electrochemical units.MEC sensors present great potential for the detection of targets including small organic molecules,metal ions,and biomolecules.In recent years,MEC sensors have been broadly applied to POCT in various fields,including health care,food safety,and environmental monitoring,owing to the excellent advantages of electrochemical(EC)technologies.This review summarized the state-of-the-art advancements on various types of MEC sensors and their applications in POCT.Furthermore,the future perspectives,opportunities,and challenges in this field are also discussed.  相似文献   

9.
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   

10.
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   

11.
通过对23个羟基蒽醌衍生物的质子核磁共振研究, 观察了不同取代类型羟基的化学位移范围;讨论了酚羟基乙酰化对芳环质子的化学位移影响, 为羟基取代位置的确定及芳环质子谱线归属提供了某种判据.此外, 还用HMO 法探讨了各类取代羟基的氢键强度及羰基迫位仅有一个羟基的内氢键强度与给予原子电荷密度的关系.本文报道一系列新型冠醚N,N'-双取代-1,7-二氧杂-12-冠-4(1~6), N,N' -双取代-1, 7-二氮杂-15冠-5(7~10) 及N,N'-双取代-1,10-二氮杂-18-冠-6(11~14)的质谱. 借助联动扫描和去焦技术对它们的开裂机理作了详细探讨.  相似文献   

12.
孙小玲  吴毓林 《化学学报》1997,55(6):600-604
我们在合成鞘氨醇3时,成功地分离到一对环亚硫酸酯1由于硫原子手性形成的非对映异构体,通过氢核磁共振谱分析和分子力学计算,确定了它们手性硫原子的绝对构型。  相似文献   

13.
缪振春  蔡定国 《有机化学》1992,12(5):503-509
本文从峨眉千里光中分得二个吡咯里西啶类生物碱.经测定,一个为阔叶千里光碱,另一个为新阔叶千里光碱.采用选择性远程^13CDEPT技术对这二个化合物的结构及其^1H和^13CNMR谱峰归属作了研究.  相似文献   

14.
石凤  庄文德  孝延文  倪嘉缵 《化学学报》1987,45(11):1091-1095
研究了从Sm^3^+到Lu^3^+(Gd^3^+除外)九个稀土单酞菁化合物的^1H NMR化学位移.发现对重稀土化合物,酞菁环上α、β质子诱导位移符号的变化呈现"三个一组效应".即,"Tb^3^+、Dy^3^+、Ho^3^+化合物,^1H共振谱线移向高场,而对Er^3^+、Tm^+^3、Yb^3^+化合物,则移向低场.化学位移的最大变化发生在4f^8构型(Tb^3^+)处.所得结果与Bleaney理论一致.测得部分稀土单酞菁化合物的^1^3C NMR谱,讨论了化学位移的变化.  相似文献   

15.
郭宁  曾广赋  席时权 《化学学报》1993,51(3):278-282
测定了[n-CnH2n+1NH3]2ZnCl(n=7~12, 16)配合物在碳氢伸缩、碳氢弯曲、碳碳伸缩和低频区的Raman光谱。发现它们的频率和相对强度与分子中烷基链的链长有关, 并且表现出碳原子数的奇偶效应。从不同的分子堆积结构和分子间相互作用的角度讨论了光谱变化。  相似文献   

16.
张韫宏  梁映秋 《化学学报》1994,52(9):838-846
本文研究了BSF中染料BY和MO分子的取向问题, 建立了三点式数据采集方法,测得各种入射角θ下BSF中BY和MO分子的-N=N-对称伸缩振动谱带的Raman偏振比R~1和R~2, 分别用单轴唯一角取向模型和取向分布模型, 讨论偏振比R~1和R~2与入射角θ的关系。单轴唯一角取向模型处理上述偏振数据的结果表明, BY以较大的倾角(约80°)斜躺在BSF的膜壁上; 凝胶相的BSF中, MO取向角约为70°, 随温度升高,BSF转变为液晶相对, MO的取向角减小到65°。用取向分布模型处理, 得到染料分子的取向分布图象, BY和MO在BSF中均以90°取向几率为最大, 但其它各方向亦有一定的取向几率, BSF的相变导致MO分子的取向分布图象由较为集中型转变为更加弥散型。  相似文献   

17.
由天花粉蛋白的水和重水溶液的激光拉曼光谱,测得酰胺III谱带1240cm[-1]和酰胺I谱带1632,1660cm[-1]对CH2弯曲模式1448cm[-1]的强度比值,按Lippert等建立的方程组作定量计算,求得天花粉蛋白的二级结构含量为α-螺旋43.5%,β-折叠31.3%和无序25.2%,它们与4A分辨率天花粉蛋白单晶X射线衍射法的结果相一致,同时,研究了上述溶液的冻干粉状固体的二级结构,经过冻干,使其中约10%的β-折叠转变成无序构象,而α-螺旋含量无明显变化,在水溶液中,由测得的I850/I830比值计算,天花粉蛋白中的酪氨酸残基约有805呈"暴露式"。  相似文献   

18.
从翠雀花根的乙醇提取物中分得两个新的C~2二萜生物碱:翠雀花定(1)和乙酰翠雀花定(2)经谱图分析(IR, ^1H和^13C NMR, )推定了它们的结构。迄今报告的C~20二萜生物碱中, 1和2在结构上是具有含氧了取代基最多的两例药理试验表明,2有镇痛作用。  相似文献   

19.
方景礼 《化学学报》1983,41(6):505-513
In the previous paper, it was reported that a sudden decrease down to -0.6V and lower in stationary potential was observed from the stationary potential-time curve and the reaction of electroless nickeling could be induced by metallic iron catalyst when it was in contact with substrate metallic copper. In this paper, AES and XPS surface analysis and depth profile technique was employed to investigate the surface and depth distribution of Ni, Cu, Fe and P in the nickel coating deposited on the substrate metal. The experimental results showed that there was a thin adsorption layer consisting of C, S and Cl. The pure electroless nickel deposition, its Ni/P ratio being about two, existed under the adsorption layer. A layer with rapidly changed Ni/P ratio occurred close to the surface of substrate metal, under this layer the substrate metal was alloyed with Ni and P, thus becoming Cu-Ni-P alloy. The ratio of components in this alloy was found to be Cu:Ni:P=56:36:5. This fact explained why the electroless nickel deposition can preferably adhered to the substrate metal. In inducing process, Fe was not detected by AES from the substrate metal and nickel deposition. Thus it showed that the inducing reaction takes place without the deposition of inducing metal.  相似文献   

20.
祝明松 《化学学报》1983,41(10):974-976
谢德龄研制出一种新的农用抗生素,具有防治农作物真菌病害的显著效果.由不吸水链霉菌(Streptomyces ahygroscopicus)产生.经离子交换法,从中分离出三个组分,均系碱性水溶性抗生素.其中之一为白色粉末,易溶于水,不溶于一般有机溶剂,熔点200~205℃,[α]_D~(20) 54.9(c.1,H_2O). 对上述抗生素样品作了电子轰击(EI)质谱和场解吸(FD)质谱分析.从EI质谱的碎片峰m/z 67(C_3H_3N_2~ )、68(C_3H_4N_2~ )、69(C_3H_5N_2~ )及111(C_4H_5N_3O~ )推断,分子结构中存在一个胞嘧啶(cytosine)核甙组分;由FD质谱m/z 444(M H)~ 峰确定分子量  相似文献   

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