Cooperative structure of Li/Ni mixing and stacking faults for achieving high-capacity Co-free Li-rich oxides

Co-free Li-rich layered oxides(LLOs)are emerging as promising cathode materials for Li-ion batteries due to their low cost and high capacity.However,they commonly face severe structural instability and poor electrochemical activity,leading to diminished capacity and voltage performance.Herein,we introduce a Co-free LLO,Li_(1.167)Ni_(0.222)Mn_(0.611)O_(2)(Cf-L1),which features a cooperative structure of Li/Ni mixing and stacking faults.This structure regulates the crystal and electronic structures,resulting in a higher discharge capacity of 300.6 mA h g^(-1)and enhanced rate capability compared to the typical Co-free LLO,Li_(1.2)Ni_(0.2)Mn_(0.6)O_(2)(Cf-Ls).Density functional theory(DFT)indicates that Li/Ni mixing in LLOs leads to increased Li-O-Li configurations and higher anionic redox activities,while stacking faults further optimize the electronic interactions of transition metal(TM)3d and non-bonding O 2p orbitals.Moreover,stacking faults accommodate lattice strain,improving electrochemical reversibility during charge/discharge cycles,as demonstrated by the in situ XRD of Cf-L1 showing less lattice evolution than Cf-Ls.This study offers a structured approach to developing Co-free LLOs with enhanced capacity,voltage,rate capability,and cyclability,significantly impacting the advancement of the next-generation Li-ion batteries.

A novel model to evaluate spatial structure in thinned conifer-broadleaved mixed natural forests

In order to ensure the effective analysis and reconstruction of forests,it is key to ensure the quantitative description of their spatial structure.In this paper,a distance model for the optimal stand spatial structure based on weighted Voronoi diagrams is proposed.In particular,we provide a novel methodological model for the comprehensive evaluation of the spatial structure of forest stands in natural mixed conifer-broadleaved forests and the formulation of management decision plans.The applicability of the rank evaluation and the optimal solution distance model are compared and assessed for different standard sample plots of natural mixed conifer-broadleaved forests.The effect of crown width on the spatial structure unit of the trees is observed to be higher than that of the diameter at breast height.Moreover,the influence of crown length is greater than that of tree height.There are nine possible spatial structure units determined by the weighted Voronoi diagram for the number of neighboring trees in the central tree,with an average intersection of neighboring crowns reaching 80%.The rank rating of natural forest sample plots is correlated with the optimal solution distance model,and their results are generally consistent for natural forests.However,the rank rating is not able to provide a quantitative assessment.The optimal solution distance model is observed to be more comprehensive than traditional methods for the evaluation of the spatial structure of forest stands.It can effectively reflect the trends in realistic stand spatial structure factors close to or far from the ideal structure point,and accurately assesses the forest spatial structure.The proposed optimal solution distance model improves the integrated evaluation of the spatial structure of forest stands and provides solid theoretical and technical support for sustainable forest management.

Mixed grain structure and mechanical property anisotropy of AZ40 magnesium alloy bar with diameter of 160 mm

The mixed grain structure and mechanical property anisotropy of AZ40 magnesium alloy bar with a diameter of 160 mm manufactured by ＂multi-direction forging（MDF） ＋ extrusion ＋ online cooling＂ technique were investigated by optical microscopy（OM）, scanning electron microscopy（SEM）, X-ray diffraction macro-texture measurement and room temperature（RT） tensile test. The results show that mixed grain structure is caused by the micro-segregation of Al in semi-continuous casting ingot. Homogenization of（380 °C, 8 h） ＋（410 °C, 12 h） cannot totally eliminate such micro-segregation. During MDF and extrusion, the dendrite interiors with 3%-4% Al（mass fraction） transform to fine grain zones, yet the dendrite edges with about 6% Al transform to coarse grain zones. XRD macro-textures of the outer, R/2 and center show typical fiber texture characteristics and the intensity of [0001]//Ra D orientation in the outer（11.245） is about twice as big as those in the R/2（6.026） and center（6.979）. The as-extruded AZ40 magnesium alloy bar has high elongation（A） and moderate ultimate tensile strength（Rm） in both extrusion direction（ED） and radius direction（Ra D）, i.e., A of 19%-25% and Rm of 256-264 MPa; however, yield strength（Rp0.2） shows anisotropy and heterogeneity, i.e., 103 MPa in Ra D, 137 MPa in ED-C（the center） and 161 MPa in ED-O（the outer）, which are mainly caused by the texture.（155 °C, 7 h） ＋（170 °C, 24 h） aging has no influence on strength and elongation of AZ40 magnesium bar.

3D printing of poly(ethyleneimine)-functionalized Mg-Al mixed metal oxide monoliths for direct air capture of CO_(2)

Direct air capture(DAC)of CO_(2)plays an indispensable role in achieving carbon-neutral goals as one of the key negative emission technologies.Since large air flows are required to capture the ultradilute CO_(2)from the air,lab-synthesized adsorbents in powder form may cause unacceptable gas pressure drops and poor heat and mass transfer efficiencies.A structured adsorbent is essential for the implementation of gas-solid contactors for cost-and energy-efficient DAC systems.In this study,efficient adsorbent poly(ethyleneimine)(PEI)-functionalized Mg-Al-CO_(3)layered double hydroxide(LDH)-derived mixed metal oxides(MMOs)are three-dimensional(3D)printed into monoliths for the first time with more than 90%adsorbent loadings.The printing process has been optimized by initially printing the LDH powder into monoliths followed by calcination into MMO monoliths.This structure exhibits a 32.7%higher specific surface area and a 46.1%higher pore volume,as compared to the direct printing of the MMO powder into a monolith.After impregnation of PEI,the monolith demonstrates a large adsorption capacity(1.82 mmol/g)and fast kinetics(0.7 mmol/g/h)using a CO_(2)feed gas at 400 ppm at 25℃,one of the highest values among the shaped DAC adsorbents.Smearing of the amino-polymers during the post-printing process affects the diffusion of CO_(2),resulting in slower adsorption kinetics of pre-impregnation monoliths compared to post-impregnation monoliths.The optimal PEI/MeOH ratio for the post-impregnation solution prevents pores clogging that would affect both adsorption capacity and kinetics.

Simulation and Implementation of Structure and Growth Visualization System of Artificial Mixed Stand

[Objective] The objective of this paper was to study the simulation and implementation of structure and growth visualization system of artificial mixed stand. [Method] The mixed stand structure visualization model and growth visualization model were built on the base of the characteristics of mixed stand structure and the relationship between growth and environment; and the C# language and MOGRE graphics engine were used to establish the mixed stand structure and growth visualization system. [Result] The mixed stand structure visualization model and growth visualization model were built, as well as the mixed stand structure and growth visualization system. [Conclusion] This paper realized the visualization simulation of the mixed stand structure and growth.

Hydrothermal Synthesis and Structure of [CH3NH3]2[(VⅣO)2(VⅤO4)2]:A New Layered Mixed-valence Vanadium Oxide Incorporated with Organic Cations

A new layered mixed valence vanadium oxide, [CH 3NH 3] 2[(V ⅣO) 2(V ⅤO 4) 2], which contains interlamellar organic cations was prepared under hydrothermal conditions and its single crystal structure was determined. It crystallizes in a triclinic system with space group P 1, a =0 625 59(8) nm, b =0 639 84(9) nm, c =0 747 19(10) nm, α =78 718(2)°, β =80 099(2)°, γ =77 100(2). The compound contains mixed valence V 4+ /V 5+ vanadium oxide layers constructed from VO 4 tetrahedra, pairs of edge sharing VO 5 square pyramid and methylamine with protonated organic amines occupying the interlayer space.

Hydrothermal Synthesis, Crystal Structure and Magnetic Property of a Novel Mixed Valence Decatungstate: [Cu(2,2′-bipy)_2]_2Na_2W_6~VW4^(VI)O_(30)·2H_2O

A novel Cu（II）-2,2＇-bipy-supported （bipy = bipyridine） mixed valence decatungstate, [Cu（2,2＇-bipy）2]2Na2W6^VW4^VIO30·2H2O 1, has been synthesized and structurally characterized by X-ray analysis. The crystal of 1 is of triclinic, space group P1^- with a= 10.9393（10）, b = 12.0492（2）, c = 12.3783（2）A, a = 80.631（10）, β= 70.226（10）, γ= 72.329（9）^o, V = 1459.64（4）A^3, Z = 1, Dc = 3.582 g/cm^3, F（000） = 1404, R = 0.0553 and wR = 0.1242 for 4607 observed reflections （I 〉 2σ（I））. The EPR spectrum of 1 indicates that its unpaired electrons are placed in the dx2-y2 orbital of the ground state of Cun. Furthermore, compound 1 shows an antiferromagnetic interaction.

Syntheses and Crystal Structures of Mono-and Binuclear Copper(Ⅱ) Mixed-ligand Complexes Involving Schiff Base

The mononuclear copper（Ⅱ） complex [Cu（L）（2-AP）] 1 and binuclear copper（Ⅱ） complex [Cu（L）（py）]2 2 （L = C10H11O5NS, taurine o-vanillin, py = prydine, 2-AP = 2-aminopyridine） with mixed ligand have been synthesized and characterized by X-ray diffraction method. Crystal data for 1： orthorhombic, space group Pbca with a = 11.921（4）, b = 15.816（6）, c = 17.076（6） A, V= 3219.7（19） A^3, C15H17CuN3O5S, Z = 8, Mr = 414.92, De = 1.712 g/cm^3,μ（MoKα） = 1.520 mm^-1, F（000） = 1704, the final R = 0.0300 and wR = 0.0705 for 2840 observed reflections with I 〉 2σ（I）; and crystal data for 2： monoclinic, space group P21/c with a = 7.929（3）, b = 17.038（5）, c = 11.734（4） A, β = 98.162（6）°, V = 1569.1（9） A^3, C15H16CuN2O5S, Z = 4, Mr = 399.90, Dc = 1.693 g/cm^3, F（000） = 820,μ（MoKα） = 1.554 mm^-1, the final R = 0.0351 and wR = 0.0848 for 2767 observed reflections （I 〉 2σ（I））. The molecular structure of complex 1 consists of one tetra-coordinated Cu（Ⅱ） atom generating a slightly distorted square plane, and a one-dimensional chain structure is formed by intermolecular hydrogen bonds. Complex 2 consists of a diphenolic hydroxyl O-bridged binuclear copper（Ⅱ） structure. The crystal structures of complexes 1 and 2 reveal that the coordinate copper centers are bound to both nitrogen and oxygen atom donors. The usual N,O-trans arrangement of ligands is observed in both cases.

Effects of Logging Intensity on Structure and Composition of a Broadleaf-Korean Pine Mixed Forest on Changbai Mountains,Northeast China

In order to identify a harvesting model which is beneficial for broadleaf-Korean pine mixed forest （BKF） sustainability, we investigated four types of harvested stands which have been logged with intensities of 0 （T0, control）, 15% （T1, low intensity）, 35% （T2, moderate intensity）, and 100% （T3, clear-cutting）, and examined the impacts of logging intensity on composition and structure of these stands. Results showed that there were no significant differences between To and T1 for all structural characteristics, except for density of seeding and large trees. The mean diameter at breast height （DBH, 1.3 m above the ground）, stem density and basal area of large trees in T2 were significantly lower than in To, while the density of seedlings and saplings were significantly higher in T2 than in To. Structural characteristics in T3 were entirely different from To. Dominant tree species in primary BKF comprised 93%, 85%, 45% and 10% of the total basal area in T0, T1, T2 and T3, respectively. Three community similarity indices, the Jaccard＇s similarity coefficient （Cj）; the Morisita-Hom index （CMH）; and the Bray-Curtis index （CN）, were the highest for T0 and T1, followed by T0 and T2, and T0 and T3, in generally. These results suggest that effects of harvesting on forest composition and structure are related to logging intensities. Low intensity harvesting is conductive to preserving forest structure and composition, allowing it to recover in a short time period. The regime characterized by low logging intensity and short rotations appears to be a sustainable harvesting method for BKF on the Changbai Mountains.

Preparation and structure characteristics of nano-Bi_2O_3 powders with mixed crystal structure

The nano-Bi2O3 powders were prepared by a chemical precipitation method with Bi（NO3）3, HNO3 and NaOH as reactants. The structural characteristics and morphology of nano-Bi2O3 powders were investigated by X-ray diffraction and transmission electron microscopy, respectively. The results show that under the optimum condition that 300g/L Bi（NO3）3 reacts at 90℃ for 2h, the Bi2O3 powders with 60nm on the average and 99.5% in purity are obtained. The prepared nano-Bi2O3 powders contain a mixed crystal structure of monoclinic and triclinic instead of traditional structure of monoclinic α-Bi2O3. And the mixed crystal structure is stable in air. The reason for the appearance of the mixed crystal structure may be that the ionic radius ratio of Bi 3+ to O 2- changes easily during the formation of nano-Bi2O3 particles by a chemical precipitation method.

Floristic Composition, Structure and Soil Properties of Mixed Deciduous Forest and Deciduous Dipterocarp Forest: Case Study in Madan Watershed, Myanmar

Patterns of woody regeneration in terms of species composition and diversity were studied in mixed deciduous forest (MDF) and deciduous dipterocarp forest (DDF) in Minbyin reserved forest of Lewe Township. A total of 57 plant species of MDF belonging to 28 families and 342 individuals and 25 plant species of DDF consist of 15 families and 285 individuals were identified. Plant species diversity was quantitatively higher in the MDF (H' = 3.68) compared to the DDF (H' = 2.39). Tectona grandis showed the highest density (30), dominance (4.40 m2) and IVI (27.01) of MDF and Dipterocarpus tuberculatus also composed the highest density (109), dominance (9.02 m2) and IVI (81.87) in DDF. The smallest diameter class (10 - 20 cm) comprised with 29 species, 103 individuals in MDF and 18 species, 85 individuals in DDF. The size class distribution displayed a reverse J-shaped pattern. The largest numbers of species were concentrated in the smallest height class in both investigated forests because of height and diameter distribution is closely related. The total densities of seedlings and saplings were 1219 and 531 ha-1 in MDF and 988 and 444 ha-1 in DDF respectively. Although soil texture of (40 - 50 cm) and (90 - 100 cm) were sandy clay loam in mixed deciduous forest, the other layers of both investigated forests were sandy loam.

A Zinc(Ⅱ) Coordination Framework Based on Terpyridine and 5-Nitroisophthalic Acid Mixed Ligands: Synthesis, Crystal Structure and Fluorescence Property

A new coordination framework, {[Zn（L1）（5-nipc）]·H2O}n（1, L1 = 4ˊ-（4-pyridyl）-4,2ˊ：6ˊ,4ˊˊ-terpyridine, 5-nipc = 5-nitroisophthalic acid）, has been prepared under hydrothermal conditions, and determined by single-crystal X-ray diffraction analyses and further characterized by elemental analyses, IR and powder X-ray diffraction. Complex 1 crystallizes in monoclinic, space group C2/c with a = 29.983（9）, b = 13.709（3）, c = 14.391（3）A, β = 114.93（4）°, V = 5364（2） A3, Dc = 1.493 g/cm^3, C28H19N5O7 Zn, Mr = 602.85, F（000） = 2464, μ（Mo Kα） = 0.972 mm^-1, Z = 8, R = 0.0935 and w R = 0.1509 for 4724 observed reflections（I 〉 2σ（I））. The structure of 1 exhibits a three-dimensional（3D） network with a layer-pillar structure. The fluorescence property of 1 is also investigated.

Synthesis and Crystal Structure of a Three-dimensional Mn(Ⅱ) Coordination Polymer with 3-(Pyrazin-2-yloxy)-pyridine and Azide Anion as Mixed Bridge Ligand

A three-dimensional coordination polymer [Mn2（μ1.3-N3）4（μ-PP）2]n （PP = 3-（pyrazin-2-yloxy）-pyridine） has been synthesized with 3-（pyrazin-2-yloxy）-pyridine and azide anion as mixed bridge ligand, and its crystal structure was determined by X-ray crystallography. The crystal data： triclinic system, space group P1, with a = 6.794（4）, b = 9.885（6）, c = 9.947（6） A, α = 64.170（6）, β= 84.190（8）, γ= 85.319（8）°, V = 597.7（6）A^3, Z = 1, C18H14Mn2N18O2, Mr = 624.35, Dc = 1.735 g/cm^3, F（000） = 314 and μ = 1.117 mm^-1. In the crystal, the azide anion acts as a bridge ligand and makes adjacent Mn（Ⅱ） ions connect into a two-dimensional sheet on the ab plane, then 3-（pyrazin-2-yloxy）-pyridine serves as a bidentate bridge ligand to connect neighboring sheets along

Synthesis, Structure and Luminescent Property of a 2D Cd(Ⅱ) Coordination Polymer Based on Mixed-ligands of 1,3-Bis(imidazol)propane and Pyridine-3,5-dicarboxylic Acid

A new Cd（Ⅱ） coordination polymer, namely, [Cd（1,3-bip）（3,5-pdc）]n （1,3-bip = 1,3-bis（imidazol）propane and 3,5-pdc = pyridine-3,5-dicarboxylic acid） has been synthesized under hydrothermal conditions. Compound 1 was characterized by infrared spectrum, elemental analysis, powder X-ray diffraction （PXRD） and single-crystal X-ray diffraction analysis. It crystallizes in monoclinic, space group P21/c with a = 1.40178（7）, b = 1.72502（12）, c = 1.41635（6） ran, β = 92.653（4）°, V = 3.4212（3） nm3, Z = 4, C16HIsCdNsO4, Mr = 453.73, Dc = 1.762 g/cm3, F（000） = 1808,μ = 1.310 mm1, R = 0.0899 and wR = 0.1945. In compound 1, each 3,5-pdc ligand links three Cd（lI） ions and each Cd（Ⅱ） attaches to bip ligands to form a complicated 2D double-layer structure. In addition, the thermal stability and luminescent property of 1 have been studied in the solid state at room temperature.

A Novel Synthesis of Titania-silica Mixed Oxide with MesoporousStructure

Mixture formed from sonicating TiCl4 and Si(OEt)4 in the absence of water is used as precursor and hydrolyzed by using a long-chain organic ammonium bromide as a structure-directing agent. The product, titania-silica, is of mesoporous structure and characterized with SEM, FT-IR, BET, XRD and so on.

Synthesis and Crystal Structure of Quaternary Mixed Anion Complexes of Lanthanide Containing 1,10-Phenanthroline

A series of novel quaternary mixed anion complexes of lanthanide containing 1,10 phenanthroline(phen) were synthesized from the water/ethanol solution with slightly acidic solution and characterized by elemental analysis, IR and UV spectra, thermal analysis and single crystal X ray diffraction analysis. The crystal of [Ce(CH 3COO) 2(NO 3)(phen)] 2 belongs to monoclinic system, lattice type C centered, space group C 2/m, a =1 5444(6) nm, b =1 2273(5) nm, c =1 2776(5) nm, β =131 89(2)°, V =1 802(1) nm 3, Z =2, R =0 024, R w =0 032.

Synthesis Crystal Structureof Quaternary Mixed AnionComplex of Lanthanides[Ln(CCl_3COO)_2 (CH_3COO)(phen) (H_2O)]_2

Three new quaternary mixed anion complexes of lanthanides were prepared from thewater-ethanol solution under slightacidity condition and characterizedby elemental analysis, IR, UVspectrum and single crystal X-raydiffraction analysis. The crystal ofLa(CCl3COO)2 (CH3COO) (phen)(H2O)·DMF]2 belongs to tricliniccrystal system, space group P1with a=1 .2510 (4) nm, b=1.3460(5) nm, c=1.0343 (3)nm, α=102.47(3)°, β=102.34(2)°, γ=113.82 (2)°, μ(MoKa) = 20.47 cm-1, Z= 1, Dc=1. 800 g·cm-3, F (000) =780. 00. The acetate tends to coordinate with the center ion as abridge and trichloroacetate has fourkinds of coordination modes, somany coordination modes were observed in their co-ligand system.

Syntheses,Structures and Properties of Lanthanide Coordination Polymers Constructed from Mixed Acid

Two new coordination polymers,[Ln（oba）（ox）0.5（H2O）2]n（Ln = Ho（1）,Eu（2）;H2oba = 4,4？-oxybis（benzoic acid）,H2ox = oxalic acid） have been synthesized under hydrothermal conditions.According to single-crystal X-ray diffraction analyses,complex 1 crystallizes in the monoclinic system,space group P21/c with a = 13.783（2）,b =10.0120（15）,c = 12.1974（18） ,β = 105.217（2）°,V = 1624.2（4） 3,C15H12O9Ho,Mr = 501.18,Z = 4,Dc = 2.050 g/cm3,F（000） = 964,μ = 4.919 mm-1,λ（MoKα） = 0.71073 ？,GOOF = 1.124,the final R = 0.0239 and wR = 0.0570 for 3310 independent reflections with Rint = 0.0298.Complexes 2 and 1 are isostructural.Oba and ox ligands bridge the Ln（III） ions into 2D layers with（4,4） topology,which are further interlinked into a 3D supramolecular network by hydrogen bonds.TG curves of the two complexes are studied to examine their thermal stabilities.Additionally,complex 2 shows red fluorescence in the solid state at room temperature.

Synthesis and Crystul Structure of A New Mixed-Valence Complex of Copper (Ⅰ, Ⅱ) α-Methacrylate with Triphenylphosphine and Methanol

Copper (Ⅱ) α-methacrylate reacts with triphenylphosphine to form whxed-valence copper (Ⅰ,Ⅱ) complex Cu4(CH2=C(CH3)COO)6(PPh3)4(CH3OH）2 in methanol solution. The crystal and molecular structure of the complex has been detendned by single crystal X-ray structural analysis. This material forms pale green crystals with triclinic symmetry, space group Pi, a=1 .3567(2) nm, b=1.3946 (3) nm, c=1.4569 (3) nm, α=66.069 (14)0, β=84.234 (14)0 γ=69.975 (13)0,R=0.0536.

Structure and Luminescent Property of a Tetrahedral Silver(Ⅰ) Cluster Complex Based on Phosphor and Sulphur Mixed-ligand System

A tetrahedral silver(I) cluster complex {Ag4[HC(PPh2)3](S2PPh2)3}ClO4(1,HC(PPh2)3 = 1,1,1-tris(triphenylphosphino)methane, S2PPh2 = diphenyldithiophosphinate) was synthesized by assembling silver ion with phosphor and sulphur mixed-ligand system. The complex was characterized by single-crystal X-ray crystallography, high-resolution mass spectroscopy and thermal analysis. In the crystal structure, an inverted tetrahedron was constructed from Ag4 metal skeleton. The Ag4 cage was stabilized by three diphenyldithiophosphinate ligands and one 1,1,1-tris(triphenylphosphino)methane ligand. 1 exhibits luminescent properties in solid state. A bright yellow-green emission centered at 533 nm has been observed in solid state. Large Stokes' shifts with long range of emissive lifetime indicate that the emission likely originates from a triplet state parentage.