Integration of pore structure modulation and B,N co-doping for enhanced capacitance deionization of biomass-derived carbon

Biomass-derived carbon has demonstrated great potentials as advanced electrode for capacitive deionization(CDI),owing to good electroconductivity,easy availability,intrinsic pores/channels.However,conventional simple pyrolysis of biomass always generates inadequate porosity with limited surface area.Moreover,biomass-derived carbon also suffers from poor wettability and single physical adsorption of ions,resulting in limited desalination performance.Herein,pore structure optimization and element co-doping are integrated on banana peels(BP)-derived carbon to construct hierarchically porous and B,N co-doped carbon with large ions-accessible surface area.A unique expansionactivation(EA)strategy is proposed to modulate the porosity and specific surface area of carbon.Furthermore,B,N co-doping could increase the ions-accessible sites with improved hydrophilicity,and promote ions adsorption.Benefitting from the synergistic effect of hierarchical porosity and B,N co-doping,the resultant electrode manifest enhanced CDI performance for NaCl with large desalination capacity(29.5 mg g^(-1)),high salt adsorption rate(6.2 mg g^(-1)min^(-1)),and versatile adsorption ability for other salts.Density functional theory reveals the enhanced deionization mechanism by pore and B,N co-doping.This work proposes a facile EA strategy for pore structure modulation of biomass-derived carbon,and demonstrates great potentials of integrating pore and heteroatoms-doping on constructing high-performance CDI electrode.

Probing the effects of lithium doping on structures, properties, and stabilities of magnesium cluster anions

Bimetallic clusters have aroused tremendous interest because the property changes like structure,size,and composition have occurred.Herein,a structural search of the global minimum for anionic LiMg_(n)^(-)(n=2-11) clusters is performed using an efficient crystal structure analysis by particle swarm optimization(CALYPSO) structural searching program with subsequent density functional theory(DFT) calculations.A great variety of low energetic isomers are converged,and the most stable ones are confirmed by comparing their total energy of each size.It is found that the LiMg_(n)^(-)clusters are structurally consistent with corresponding Mg clusters anions except for LiMg_(5)^(-)and LiMg_(7)^(-).In all the doped clusters,the Li atom prefers to occupy the convex position.Simulated photoelectron spectra(PES),Infrared(IR),and Raman spectra of LiMg_(n)^(-)could be used as an essential evidence for identifying cluster structures experimentally in the future.Stability study reveals that a tower-like structure of LiMg_(9)^(-)has prominent stability and can be identified as a magic number cluster.The reason might be that there are both closed-shell 1S^(2)1P^(6)1D^(10)2S^(2) electronic configurations and stronger Li-Mg bonds caused by sp hybridization in the LiMg_(9)^(-)cluster.

SYNTHESIS AND STRUCTURE OF A MIXED-VALENCE HEXAMOLYBDENUM COMPLEX [Et_4N]_2[Mo_6O_(19)H_4]

A hexamolybdenum complex, [Et_4N]_2[Mo_6O_(19)H_4] crystal, with pentavalent and hexavalent molybdenum has been obtained in the solution of DMF and CH_3OH as organic solvents using MoCl_5 as a starting material. The crystallographic parameters obtained by X-ray diffraction analysis are: crthorhombic, a=10. 757(3), b=10. 763(2), c=14. 238(4)A, =1648. 9A^3; Z=2; space group Pnnm; final R=0. 047; final Rw=0. 051^(**)

氮含量对Ti-B-C-N薄膜微观结构和性能的影响

采用反应磁控溅射法在高速钢基体上制备氮原子分数分别为10.8%,15.6%,28.1%,36.4%的Ti-B-C-N薄膜,研究了氮含量对薄膜微观结构、硬度和摩擦磨损性能的影响。结果表明:Ti-B-C-N薄膜均由α-Fe和Ti(C,N)纳米晶组成,具有Ti(C,N)纳米晶镶嵌在非晶基体相中的纳米复合结构;随着氮含量增加,非晶相含量增加,Ti(C,N)纳米晶的含量和晶粒尺寸减小;随着氮含量增加,Ti-B-C-N薄膜的显微硬度增大,摩擦因数和磨损率均减小,表面磨痕变浅,磨损机制由剥落和微观犁削转变为微观抛光。

Structure, Stability and Vibrational Spectra of LaC_5~n(n=-1,0,+1) Clusters

用密度泛含方法研究了ＬａＣ５ｎ（ｎ＝－１，０，＋１）分子簇的结构和稳定性及振动光谱，对这个六原子体系提出了三种可能构型，点群结构为Ｃ２ｖ对称性．第一个构型为Ｌａ接在弯曲的Ｃ５链上，第二个是Ｌａ通过二个键与Ｃ５环相连第三个是Ｌａ通过一个键与Ｃ５环相连；结果表明，第一个构型即当Ｌａ接在弯曲的Ｃ５链上时能量最低．振动光谱分析指出，当ｎ＝－１时，第二个构型为局域极小值；当ｎ＝＋１时，第一个和第二个构型为局域极小值；对ｎ＝０，局域极小值没有找到．

Effect of nutrient level on phytoplankton community structure in different water bodies

Increasing levels of pollution within water bodies can cause eutrophication and an associated rapid growth in and reproduction of phytoplankton. Although most frequently occurring in bodies of water such as lakes and dams, in recent years an increasing number of river systems in China have suffered serious algal blooms. The community structure of phytoplankton may differ, however, dependent on the hydrodynamic conditions and nutrient levels within the water body. The field investigation results obtained from a stagnant river in Suzhou City and Taihu Lake, China, showed that in water with higher concentrations of nitrogen and phosphorus, Chlorophyta became the predominant species and in water with lower concentrations of nitrogen and phosphorus, Cyanobacteria became the predominant species. Growth experiments with competitive species, Microcystis aeruginosa Kutz and Scenedesmus quadricauda （Turp.）, were conducted at three different nutrient levels. The biomass of algae in pure and mixed cultures was measured under conditions of different N/P ratios at oligotrophic, eutrophic and hypertrophic nutrient levels. The results indicated that the most suitable state for the growth and reproduction of M. aeruginosa and S. quadricauda were eutrophic conditions in both pure and mixed cultures. Under competition, however, the lower medium nutrient levels favoured M. aeruginosa, while the higher medium nutrient levels better suited S. quadricauda. Under similar hydrodynamic conditions, the community structure of phytoplankton in the water body was determined by the dominant species in competition for nutrients.

Microstructure and shear strength of the brazed joint of Ti(C,N)-based cermet to steel

Firm joins were obtained between Ti（C,N）-based cermet and steel with Ag-Cu-Zn-Ni filler metal by vacuum brazing. The effects of technological parameters such as brazing temperature, holding time, and filler thickness on the shear strength of the joints were investigated. The microstructure of welded area and the reaction products of the filler metal were examined by scanning electron microscopy （SEM）, metallographic microscope （OM）, energy-dispersive X-ray analysis （EDS）, and X-ray diffraction （XRD）. The brazing temperature of 870℃, holding time of 15 min, and filler thickness of 0.4 mm are a set of optimum technological parameters, under which the maximum shear strength of the joints, 176.5 MPa, is achieved. The results of microstructure show that the wettability of the filler metal on Ti（C,N）-based cermet and steel is well. A mutual solution layer and a diffusion layer exist between the welding base materials and the filler metal.

Crystal and Molecular Structure of Bis-N,N’(dithiodi-2,1-phennylene)benzamide

The crystal structure of the title compound ((C 6H 5CONC 6H 4S) 2, M r =229) has been determined by X ray diffraction analysis. The crystal belongs to triclinic space group P 1 with cell parameters: a=7.957(4), b=11.570(7), c=12 335(6), α=76.68(4), β=81.48(4), γ=87.26(4)°, V=1092.9 3, Z=2, D c =1 39g/cm 3, F(000)=476, μ (Mo Kα )=2.7mm -1 . The final R factor is 0.0373 for 3764 observed reflections. The result of X ray diffraction analysis indicates that all of these single bond lengths are obviously shorter than that of standard single bond. Those atoms might take part in a conjugate system. The electrons for sp 3 hybridized S(1) and S(2) move toward two sides and the densities of electronic cloud among them are reduced and can be easily broken. The obtained results can explain the reaction mechanism of the title compound.

Synthesis, Crystal Structure and Thermal Properties of N,N′-Bis(5,5-dimethyl-2-phospha-2-thio-1,3-dioxan-2-yl) Ethylene Diamine

The title compound N,N＇-bis（5,5-dimethyl-2-phospha-2-thio-1,3-dioxan-2-yl） ethylene diamine （DPTDEDA, C12H26N2O4P2S2） was synthesized by the reaction of neopentyl glycol, phosphorus thio-chloride and 1,2-ethylenediamine, and characterized by elemental analysis, IR and ^1H NMR spectra. Its crystal structure was determined by single-crystal X-ray diffraction analysis and the thermal property was analyzed by TG analysis. The crystal structure belongs to monoclinic, space group P21/c, with a = 14.557（16）, b = 11.299（12）, c = 12.163（13）A,β = 98.707（19）^o, Dc = 1.305 g/cm^3, Z = 4, γ = 0.71073A,μ（MoKa） = 0.447 mm^-1, Mr = 388.41, V = 1977（4）A3, F（000） = 824, S = 1.107, the final R = 0.0478 and wR = 0.0810 for 1738 observed reflections （I 〉 2σ（I））. X-ray analysis reveals that the crystal structure is centrosymmetrically distributed through 1,2-ethylenediamine to join two distorted six-membered rings. The weak N-H…S interactions are observed and link the molecules into sheets. TG analysis shows that the title compound has good thermal stability and char-forming capability, which are required for an excellent intumescent fire retardant.

EFFECT OF HEAT TREATMENT TEMPERATURE ON MICROSTRUCTURE AND PROPERTIES OF Ti-B-N FILM

１ＩＮＴＲＯＤＵＣＴＩＯＮＴｉＮｆｉｌｍｓｐｒｅｐａｒｅｄｂｙｍｅａｎｓｏｆｐｈｙｓｉｃａｌｖａｐｏｕｒｄｅｐｏｓｉｔｉｏｎ（ＰＶＤ）ｏｒｃｈｅｍｉｃａｌｖａｐｏｕｒｄｅｐｏｓｉｔｉｏｎ（ＣＶＤ）ａｒｅｗｉｄｅｌｙｕｓｅｄｏｎｔｏｏｌｓｆｏｒｔｈ...

Synthesis and Crystal Structure of the Mixed-quadriligand Bismuth Complex [Bi(S_2CNEt_2)_2(NO_3)]·[1,10-Phen]

The mixed-quadriligand bismuth complex [Bi(S2CNEt2)2(NO3)]?[1,10-Phen] has been synthesized, and its crystal structure was determined by X-ray single-crystal diffraction. The crystal belongs to monoclinic, space group P21/n with a = 10.074(17), b = 15.05(2), c = 18.99(3) ?, β = 98.85(3)o, V = 2845(8) ?3, Z = 4, F(000) = 1464, Dc = 1.746 g/cm3, μ = 6.523 mm-1, R = 0.0333 and wR = 0.0703. In this complex, the bismuth atom is eight-coordinated in a capped distorted pentagonal bipyramidal geometry.

Insight into the Disciplinary Structure of Nanoscience & Nanotechnology

Purpose： This paper aims to gain an insight into the disciplinary structure of nanoscience ＆ nanotechnology （N＆N）： What is the disciplinary network of N＆N like？ Which disciplines are being integrated into N＆N over time？ For a specific discipline, how many other disciplines have direct or indirect connections with it？ What are the distinct subgroups of N＆N at different evolutionary stages？ Such critical issues are to be addressed in this paper. Design/methodology/approach： We map the disciplinary network structure of N＆N by employing the social network analysis tool, Netdraw, identifying which Web of Science Categories （WCs） mediate nbetweenness centrality in different stages of nano development. Cliques analysis embedded in the Ucinet program is applied to do the disciplinary cluster analysis in the study according to the path of ＂Network-Subgroup-Cliques,＂ and a tree diagram is selected as the visualizing type. Findings： The disciplinary network structure reveals the relationships among different disciplines in the N＆N developing process clearly, and it is easy for us to identify which disciplines are connected with the core ＂N＆N＂ directly or indirectly. The tree diagram showing N＆N related disciplines provides an interesting perspective on nano research and development （R＆D） structure. Research limitations： The matrices used to draw the N＆N disciplinary network are the original ones, and normalized matrix could be tried in future similar studies. Practical implications： Results in this paper can help us better understand the disciplinary structure of N＆N, and the dynamic evolution of N＆N related disciplines over time. The findings could benefit R＆D decision making. It can support policy makers from government agencies engaging in science and technology （S＆T） management or S＆T strategy planners to formulate efficient decisions according to a perspective of converging sciences and technologies. Originality/value： The novelty of this study lies in mapping the disciplinary network structure of N＆N clearly, identifying which WCs have a mediating effect in different developmental stages （especially analyzing clusters among disciplines related to N＆N, revealing close or distant relationships among distinct areas pertinent to N＆N）.

Allocation patterns of nonstructural carbohydrates in response to CO_(2)elevation and nitrogen deposition in Cunninghamia lanceolata saplings

Stored nonstructural carbohydrates(NSC)indicate a balance between photosynthetic carbon(C)assimilation and growth investment or loss through respiration and root exudation.They play an important role in plant function and whole-plant level C cycling.CO_(2)elevation and nitrogen(N)deposition,which are two major environmental issues worldwide,aff ect plant photosynthetic C assimilation and C release in forest ecosystems.However,information regarding the eff ect of CO_(2)elevation and N deposition on NSC storage in diff erent organs remains limited,especially regarding the trade-off between growth and NSC reserves.Therefore,here we analyzed the variations in the NSC storage in diff erent organs of Chinese fi r(Cunninghamia lanceolata)under CO_(2)elevation and N addition and found that NSC concentrations and contents in all organs of Chinese fi r saplings increased remarkably under CO_(2)elevation.However,N addition induced diff erential accumulation of NSC among various organs.Specifi cally,N addition decreased the NSC concentrations of needles,branches,stems,and fi ne roots,but increased the NSC contents of branches and coarse roots.The increase in the NSC contents of roots was more pronounced than that in the NSC content of aboveground organs under CO_(2)elevation.The role of N addition in the increase in the structural biomass of aboveground organs was greater than that in the increase in the structural biomass of roots.This result indicated that a diff erent tradeoff between growth and NSC storage occurred to alleviate resource limitations under CO_(2)elevation and N addition and highlights the importance of separating biomass into structural biomass and NSC reserves when investigating the eff ects of environmental change on biomass allocation.

Synthesis and Crystal Structure of N-tert-butyl-N′-(2,4-dichlorobenzoyl)-N- [1-(4-chlorophenyl)-1, 4-dihydro-6-methylpyridazine-4-oxo-3-carbonyl] hydrazine

The title compound N-tert-butyl-N(-(2,4-dichlorobenzoyl)-N-[1-(4-chlorophenyl)- 1,4-dihydro-6-methylpyridazine-4-oxo-3-carbonyl]hydrazine [(C23H_21N4O3Cl3)2·1.5H_2O, Mr = 1042.60] was prepared by the reaction of 1-(4-chlorophenyl)-1,4-dihydro-4-oxo-6- methylpyridazine-3-carboxylic acid with chloroformate ethyl ester, then with N′-tert-butyl-N- (2,4-dichlorobenzoyl) hydrazine in the present of triethylamine. The crystal structure has been determined by X-ray diffraction. The crystal belongs to Monoclinic, space group P21/c, with unit cell constants a =11.4948(9), b=12.7495(10), c=35.854(3) ?, β =92.964(2)°, Z=4, V=5247.6(7) ?3, Dc = 1.320 Mg/m3, F(000) = 2156 , μ (MoKa)= 0.385, R = 0.0661, wR = 0.1875, for 9151 observed reflections( I >2σ(I)). The structure is a dimer linked by intermolecular hydrogen bond which can be observed between N(1)- H...O(6), N(5)- H...O(3). The distances are 2.068 and 2.027? respectively.

Electronic structure and infrared spectrum of a W_n C^(0,±) (n = 1-6) cluster

WnC0＇± （n= 1-6） clusters are investigated by using the density functional theory （DFT） at the B3LYP/LANL2DZ level. We find that the neutral, anionic and cationic ground state structures are similar within the same size, and constituted by substituting a C atom for one W atom in the structures of Wn＋1 clusters. The natural bond orbital （NBO） charge analyses indicate that the direction of electron transfer is from the W atom to the 2p orbital of the C atom. In addition, the calculated infrared spectra of the WnC0＇± （n= 2-6） clusters manifest that the vibrational frequencies of neutral, anionic and cationic clusters are similar in a range of 80 cm-1-864 cm-1. The high frequency, strong peak modes are found to be an almost stretched deformation of the carbide atom. Finally, the polarizabilities of WnC0＇± （n= 1-6） clusters are also discussed.

Two Cobalt(II) Complexes Derived from the Hydrolysis Product of Di-Schiff Base Ligand N,N'-Bis-(1-benzimidazo-2-yl-ethylidene)-ethane-1,2-diamine:Preparation,Characterization and Crystal Structure of the 6-Coordinate Species [CoL_2]X·H_2O (X = ClO_4^-, N

The reactions of Co（C1O4）2·6H2O and Co（NO3）2.6H2O with the di-Schiff base ligand N,N＇-bis-（1-benzimidazo-2-yl-ethylidene）-ethane-1,2-diamine （LA） in ethanol have been investigated. The reactions of LA with excess amount of cobalt salts yield the six-coordinate complexes [CoL2]（ClO4）E·H2O 1 and [CoL2]（NO3）E·H2O 2 as isolatable products （L= N-（1- benzimidazo-2-yl-ethylidene）-ethane-1,2-diamine）, where L is a tri-dentate mono-Schiff base ligand, resulting from the hydrolysis of the precursor di-Schiff base LA. Both complexes were characterized by X-ray crystallography. Crystal data for complex 1： monoclinic, space group P21/c, a = 11.9214（10）, b = 23.5828（17）, c = 14.0387（12）A, β = 135.219（4）°, C22H30Cl2CoN8O9, Mr = 680.37, V = 2780.1（4） A^3 ,Z = 4, Dc = 1.625 g/cm^3,μ（MoKa） = 0.876 mm^-1, F（000） = 1404, the final R = 0.0725 and wR = 0.1530 for 5726 observed reflections （I 〉 2σ（I））. Crystal data for complex 2： monoclinic, space group P21/c, a = 18.2162（16）, b = 10.0610（6）, c = 18.593（2）A, β = 130.099（3）°, C22H30CoN10O7, Mr = 605.49, V = 2606.5（4） A3 Z = 4, Dc = 1.543 g/cm^3,μ（MoKa） = 0.722 mm^-1, F（000） = 1260, the final R = 0.0619 and wR = 0.1429 for 5194 observed reflections （I 〉 2σ（I））. X-ray diffraction analysis reveals that each cobalt atom in the two complexes is chelated by six nitrogen atoms from two tridentate iigands L, exhibiting a slightly distorted octahedral coordination sphere. In both complexes, the strong hydrogen-bonding interactions between the lattice waters and N-H groups of the ligands result in 1D chains which are further connected by ClO4^- （or NO3^-） groups to form a 3D framework. In complex 2, the strong π-π interactions increase the stability of the structure.

Ray hit analysis method and its application to complex upper crustal structure survey

Based on the results obtained from Pg wavefront imaging in active source deep seismic sounding, we propose a new ray hit analysis method for high-resolution seismic refraction profile data processing. This method can be used to further determine possible refraction interface, especially spatial location of basement and its pattern characteristics in complex upper crustal structure region, making data processing for high-resolution refraction profiles more fine. We use this method to study the crystalline basement structure of east part of A＇nyemaqên suite zone at northeast side of Qinghai-Xizang Plateau and the basement patterns as well as its spreading features at the east part of Anemaqen suite zone and its adjacent region were determined.

适用于光导开关触发的V/N气体开关设计与验证

为了满足多路精确同步触发开关要求,将光导开关(PCSS)与V/N气体开关结合,可充分发挥PCSS低触发阈值、低抖动和光电隔离以及V/N气体开关工作电压高、带载能力强等优势。两种开关结合的核心是V/N气体开关结构参数与PCSS触发回路的参数匹配。分析计算了V/N气体开关的结构电容、触发回路振荡参数、开关电场分布等,研究了V/N气体开关的结构电容与PCSS、串联电感等构成的振荡回路的匹配关系,通过实验获得了V/N气体开关自击穿电压曲线、导通延迟时间以及不同欠压比下的延迟时间抖动等,初步验证了适用于PCSS触发的V/N气体开关设计。

TOPOLOGICAL STRUCTURE OF RENORM ALIZATION CONSTANTS I N QUANTUM FIELD THEORY AT SHORT DISTANCE KUNMING COLLABRATION OF MULTIHADRON DYNAMIOS

The anomalous dimensions of the quantum fields are the Hausdorff dimensiongrad. The present candidate of the renormalization constant is the generalized Cantor discontinuum. The Hausdorff dimensiongrad of the Minkowski space time is based upon the point set with σ-length on light cone.

Synthesis and Crystal Structure of Bridging Complex [Cu_2(bipy)_2·OAc·Cl·OH]·TsTausH·3H_2O

The title complex [Cu2(bipy)2OAcClOH]TsTausH3H2O(C31H37Cl- Cu2N5O11S2) has been synthesized by the reaction of 2,2?bipyridine(bipy), N-P-tolysulfony taurine (TsTausH) and copper acetate in water-ethanol solution, and its crystal structure was determined by X-ray diffraction method. The crystal belongs to triclinic, space group P with a = 0.74485(14), b = 1.6094(3), c = 1.7472(3) nm, a = 114.662(4), b = 99.997(4), g = 93.218(4), V = 1.8551(6) nm3, Mr = 882.31, Z = 2, Dc = 1.580 g/cm3, m = 1.395 mm-1 and F(000) = 906. The complex is a binuclear copper compound, and the two copper ions nearly have the same coordination environment. There exists MM bond in the complex. The distance of Cu(1)Cu(2) is 0.29747(7) nm. The two ions form two distorted octahedral geometries.