Table of Content

15 November 2017, Volume 46 Issue 11

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2017, 46(11):  1. 

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Modeling and Multi Objective Optimization of Process Parameters for Silicon Single Crystal Growth

HUANG Wei-chao;LIU Ding

2017, 46(11):  2095-2101. 

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In order to obtain higher quality silicon single crystal,this paper presents a hybrid strategy for modeling Czochralski silicon crystal growth and optimizing growth process parameters.This hybrid strategy includes computational fluid dynamics (CFD) method,data neural network based group method of data handing type,and non-dominated sorting genetic algorithm Ⅱ (NSGA-Ⅱ).According to engineering experience and process requirement,the shape variables of solid-liquid interface h and defect evaluation criteria V/G,which containing four design variables that are the heating temperature,the crystal rotating speed,the crucible rotating speed and the pulling speed,are used as the objective functions.Through numerical calculation based on CFD software,the required samples are obtained for GMDH training.Ultimately,the process parameter satisfying the Pareto optimal solution are acquired by using NSGA-Ⅱ.Tested by practical projects,it is proved that the proposed hybrid strategy provides a new numerical method for obtaining crystal growth parameters.

Effect of Substrate Temperature on Structure and Optical Properties of CdTe Films

YANG Hui-dong;ZHANG Cui-yuan;WANG Jing;CHEN Yu-ling;PENG Bing-rong;LIU Hui

2017, 46(11):  2102-2106. 

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Cadmium telluride (CdTe) is often used as an absorbent material for solar cells because of its excellent photoelectric properties and absorption properties.The CdTe thin films were deposited with a purity of 99.99; CdTe ceramic target for target material by RF magnetron sputtering on glass substrate.The effects of substrate temperature on the thickness,structure and optical properties of the CdTe films were investigated.The results show that with the increase of the substrate temperature,the thickness of the film decreases.All CdTe thin films are cubic sphalerite structure with a preferred orientation in (111) direction.The film has better absorption properties to visible light and decreases with the increase of substrate temperature.

Effect of CaO on Structure and Properties of MgO-Al2O3-SiO2 System Glass Ceramics

YIN Zhe-yi;ZHANG Xue-feng;DENG Lei-bo

2017, 46(11):  2107-2114. 

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MgO-Al2O3-SiO2 (MAS)-based glass ceramics were prepared by melting method with pure chemical reagents.The effects of CaO content on crystallization behavior、phase composition、microstructure、physical and chemical properties of glass ceramics were investigated by DSC,XRD,SEM,and performance testing methods.The results show that a certain content of CaO could reduce the activation energy of crystallization,which as a result can promote the glass crystallization;On the other hand,with the increase of CaO,the main crystal phase transfers from sapphirine to α-cordierite,crystal morphology from rod like crystal into dendrite,the grain size decreases at first and then increases;with the addition of 3wt; CaO,the thermal expansion coefficient and the relative dielectric (εr) of glass ceramics show the lowest value,are 3.89 × 10-6℃-1 and 10.09 (1 MHz),respectively;the Vickershardness of samples reach the maximum when no CaO is added,is 10.52 GPa.

Optical and Electrical Properties of P-type Microcrystalline Silicon Oxide Thin Film

PENG Wen-bo;LIU Da-wei;GAO Hu;YANG Yan-bin;HUANG Yan-hong;YU Wei

2017, 46(11):  2115-2118. 

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The p-type microcrystalline silicon oxide (p-uc-SiOx) thin-film window layers were deposited by using VHF-PECVD technique,the optical and electrical properties of p-uc-SiOx films with variable borane doping rate were discussed.The UV-vis,Raman,FTIR and dark conductivity tests were utilized to investigate the optical and electrical properties of these films.The results showed that the p-uc-SiOx materials appeared to be in microcrystalline state,which between amorphous and crystalline.The crystal fraction decreased with increasing borane doping rate.At the same time,dark conductivity showed a sharp dropdown and the optical band gap decreased steadly.The crystallizing process was depressed with more boron atom incorporating into the materials.The decreased effective doping caused lower dark conductivity,on the other hand,the suppressed phase separation of silicon and silicon oxide was responsible for the result of lower optical band gap.The sample with 0.4; doping rate show a very high conductivity of 0.158 S/cm and optical band gap of 2.2 eV,it is a sutiable candicate of the windower layer with high optical band gap and good conducitivity for silicon thin film solar cells.

Effect of Magnetic Field Structure on Carbon Concentration in 300 mm Diameter Czochralski Single Crystal Silicon Growth

LI Yan;LI Jin;JING Hua-yu;GAO Ang;GAO Mang-mang

2017, 46(11):  2119-2124. 

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In this paper,the CGSim crystal growth software was employed to evaluate the effect of various magnetic field structures on carbon impurity in silicon melt.The results show that,the carbon atoms in the atmosphere is preferably diffused into silicon melt from melt free surface closed to the crucible sidewall.By optimizing the parameters of axisymmetric and asymmetric magnetic fields,the melt convection strength beneath melt free surface has been suppressed,resulting in the increase of diffusion layer of carbon atom.In turn,a high quality of single crystal silicon with low carbon concentration has been obtained owing to the lower impurity content of carbon.

Preparation of X Zeolite by Coal-kaolinite Intercalation Complex and the Position of Potassium

CHENG Hong-fei;XU Pei-jie;ZHOU Yi;LIU Qin-fu

2017, 46(11):  2125-2131. 

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X zeolite is a kind of important catalysts that belong to the faujasite structure.It is widely used in the production of petrochemical and adsorbent.However,the price of zeolite by the traditional craft product is expensive.Our country is rich in excellent quality coal-kaolinite.After dealing with the potassium acetate intercalated,the kaolinite-potassium acetate intercalation complex is the ideal material in compounding X zeolite.In this paper,X-ray diffraction (XRD),infrared emission spectroscopy and thermal analysis were applied to characterize the kaolinite-potassium acetate intercalation complex in high temperature roasting.The results show that the best temperature is 800 ℃ and the best concentration is 30; when calcining the intercalated composite generated the X zeolite.Elaborated the mechanism,structure and the position of Potassium ions of kaolinite-potassium acetate intercalation complex compounding the X zeolite.

Research Progress of Sb2 (S1-xSex) 3 (0 ≤x ≤1) Thin Film Solar Cells

LIU Sheng-nan;ZHONG Min;LI Hong-jie

2017, 46(11):  2132-2136. 

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Sb2 (S1-xSex) 3 (0 ≤x ≤ 1) compounds including Sb2Se3,Sb2Se3 and Sb2 (S,Se) 3 have been proposed as as simple,non-toxic,highly earth-abundant and low-cost material with proper band gap (1.1-1.8 eV) and high absorption coefficient (＞ 105 cm-1),which are promising alternative light absorbers for low-cost and high-efficient thin film solar cells application,and it may be a hot issue in the research of photovoltaic device.In this paper,the development of Sb2Se3,Sb2Se3 and Sb2 (S,Se)3 solar cells are reviewed in recent years,and the future development of Sb2 (S1-x Sex)3-based solar cells is also prospected.

Effect of Nucleation Agent P2O5 on Crystallization of CaO-Al2O3-SiO2 Glass Ceramics from Yellow Phosphorus Furnace Slag

CHEN Dan-li;HUANG Xiao-feng;LIU Hong-pan;SHANG Zhi-biao;LIU Xiu-zhuang;ZHAO Dan;FAN Ying-ying

2017, 46(11):  2137-2142. 

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The CaO-Al2O3-SiO2 (CAS) glass-ceramics were prepared by melting method using natural cooling yellow phosphorus furnace slag as main material and P2O5 as nucleation agent.The effect of P2O5 on the crystallization and properties of glass-ceramics has been studied by differential thermal analysis (DTA),X-ray diffraction(XRD),scanning electron microscope(SEM) and so on.The results show that the crystallization peak temperature Tp and crystallization activation energy E of yellow phosphorus furnace slag basic glass firstly increase and then decrease with the content of P2O5 increase,when the content of P2O5 is 4wt;,the crystallization activation energy E of yellow phosphorus furnace slag basic glass is minimum,the effect of crystallization and physical and chemical properties are the best.The main crystalline phase of the type is also Wollastonite (CaSiO3) with the content of P2O5 increase.At the same time,the increase of P2O5 can promote the produce of Fluorapatite (Ca5 (PO4)3F).

Research on Cu2ZnSnS4 Cathode for All-Solid-State Thin Film Lithium Ion Batteries

XIAO Dong-li;ZHOU Kang;TONG Jun

2017, 46(11):  2143-2146. 

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Cu2ZnSnS4 (CZTS) thin films were fabricated as the cathode layers for all-solid-state thin film lithium batteries (TFLB).The CZTS thin films were deposited by magnetic sputtering,followed by a sulfuration process.The electronic conductivity of CZTS was improved by the controlling of component and sulfuration process.Moreover,the capacity degeneration which is caused by volume expansion in charge-discharge process was inhibited by introducing a loose microstructure,leading to a improvement of the TFLB cyclic performance.The TFLB with a structure of glass/Mo/CZTS/LiPON/Li show the first cycle discharge capacity is as high as 200 μAh · cm-2 · μm-1 (482 mAh · g-1)with the discharge plant of1.1 V.

First-principles Study on the Effect of Rare Earth Elements and In Co-doped on the Electrical Conductivity of SnO2

ZHANG Ying;WANG Jing-qin;KANG Hui-ling

2017, 46(11):  2147-2153. 

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In order to improve the electrical properties of the AgSnO2 contact materials,the La,Ce,Y and In co-doped methods of rare earth materials are proposed because SnO2 is close to insulation.Based on the first-principles of density functional theory,SnO2,rare earth elements doped and rare earth elements,In co-doping with SnO2 are used to calculated band structure and density of states,the results show that the doped material is still a direct band gap semiconductor material and thermal stability,the co-doped can further move the conduction band bottom and valence band top near the Fermi level to narrow the band gap,Co-doped than the single-doped electrons with low mass and high conductivity,the conductivity of Y and In co-doped with SnO2 is the best.The co-doping is better than rare earth elements doped about electrical conductivity,which provides the theoretical basis for the development of contact materials.

Structure and Properties of Lightweight Spherical Mullite

ZHAO Peng-da;ZHAO Hui-zhong;ZHANG De-qiang;LYU Kang-hua;YI Ping

2017, 46(11):  2154-2158. 

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The structure and performance of lightweight spherical mullite,whose main constituent is bauxite,have been investigated for its chemical and physical phase compositions,macro and microstructures,and high temperature performance.The results show that SiO2 and Al2O3 are the main chemical components and mullite is the predominant mineral phase.Pillars of the spherical particles present on the surfaces of the mullite crystals are observed in an interweaved configuration.The material is porous,with a packing density of 1.60 g · cm-3 bulk density 1.75 g ·cm-3 and porosity 38; The material become refractory at temperatures greater than 1790 ℃ and exhibit a thermal conductivity of 0.245 W · m-1 · K-1 at 800 ℃.the Residual rare of spherical of 95; by 5 repeated thermal shocks (water-quench experiments) for Mullite light spherical material.

First-principles Study of p-type ZnO Doped by C and F

LI Qiang;XIANG Hui;TAN Xing-yi;YANG Yong-ming

2017, 46(11):  2159-2163. 

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In the paper,the stability,electronic structures,electrical and optical properties of p-type zinc oxide (ZnO) and C/F doped or C-F codoped ZnO systems have been studied,based on the density functional theory of the first-principles calculation method.The results show that the formation energy of C-F codoped ZnO systems are smaller than the C doped ZnO systems,so the C-F codoping method can enhance the stability of the materials.The ratio of electrical conductivity are σC-ZnO/σZnO =9.45,σF-ZnO/σZnO =6.78,σC-F-ZnO/σZnO =19.62,which shows that the C-F codoping ZnO systems can enhance the electrical conductivity.Forthermore,the ratio of carrier mobility are μC-ZnO/μZnO =1.67,μF-ZnO/μZnO =2.31,μC-F-ZnO/μZnO =2.50,So the codoping method also can enhance the electrical properties.On the other hand,the transmission index of doped systems are higher than 95; in the visible light range,which shows that C/F doped and C-F codoped ZnO have good optical properties.These calculated results provide theoretical guidance for the experimental prepared pure p-type ZnO with good electrical and optical properties.

Synthesis of ZnS/g-C3N4 Compound Catalyst and Its Photocatalytic Properties under Visible-light Irradiation

LIU Yong;LI Jiang-hua;LI Zi-li;HUANG Ming;ZHENG Xiao-gang;YOU Yao-hui;FU Xiao-jin

2017, 46(11):  2164-2168. 

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ZnS/g-C3N4 samples were successfully synthesized via coprecipitation method,and performed on the photodegredation mechanism of rhodamine B under visible-light region.The as-prepared samples were characterized by several techniques such as TEM,BET,XRD,ICP,FT-IR and XPS.The results show that the activity of the catalyst with loading 5wt; ZnS is the best;after four recycle experiments,the photocatalytic activity of the samples is not significantly inactivate.It is attributed that the herterojunction formed by ZnS and g-C3N4 compound improve the photocatalytic activity.

Study on the Adsorption Property of Magnetic Fe3O4/Expanded Graphite for Methylene Blue

FAN Wen-juan;CHANG Hui

2017, 46(11):  2169-2177. 

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Using expanded graphite (EG) as carrier,the magnetic Fe3 O4/expanded graphite (MEG) was prepared by hydrothermal method.The structures and morphologies of the MEG were characterized by Xray diffraction (XRD) and Scanning electron microscope (SEM).Methylene Blue was used as a probe pollutant to investigate the effects of pH value,adsorption time,salt ionic strength and initial concentration on adsorption property,corresponding adsorption kinetics and adsorption isotherm were researched.The results indicate that the adsorption rate and adsorption capacity of 50 mg · L-1 methylene blue can reache 97.03; and 48.52 mg · g-1 in the condition of pH 7,absorption time 60 min;The adsorption capacity reduces with the Na + and Ca2+ increase;the adsorption behavior is mainly in accordance with the pseudo-second-order kinetics model and Langmuir model.The recovery rate can reach 97.51; by magnet.The adsorption amount for Methylene Blue is also 41.72 mg · g-1 after five adsorption-regeneration cycles,which show that MEG has stable reuse ability.

Effect of Calcination Temperature on BCZT Nano-powder Synthesized via Sol-gel Method

JI Xiang;WANG Chuan-bin;LI Song-bin;SHEN Qiang;ZHANG Lian-meng

2017, 46(11):  2178-2182. 

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0.5Ba(Zr0.2Ti0.8) O3-0.5 (Ba0.7Ca0.3) TiO3 (BCZT) nano-powders were synthesized by sol-gel method,and the effect of calcination temperature on structure and morphology was investigated.The results of TG-DSC,XRD,SEM,TEM and FTIR show that the BCZT powders exhibite a single cubic phase structure in the calcination temperatures ranging from 900 ℃ to 1100 ℃.With the increase of calcination temperature,the crystallinity and particle size of the powders increase gradually.The appropriate calcination temperature for sol-gel synthesized BCZT powders is 900 ℃,which is about 400 ℃ lower than that for solid-state reaction.BCZT powders synthesized at 900 ℃ are single-phased and well crystallized with homogenous elemental distribution,whose particle size is 50-60 nm.

Study on Sr2MgSi2O7∶ Eu2+ , Dy3+ Nano Luminescent Materials Used for Fluorescent Labeling

FAN Jing;ZHOU Xue-song;CHANG Shi-yan;CAI Yong-feng;SHEN Yi

2017, 46(11):  2183-2189. 

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The Sr2MgSi2O7∶ Eu2+,Dy3+ nanometer luminescent materials were prepared by hydrothermal coprecipitation method and surface modification was carried out.The effects of different metal complexing agents on the particle size,dispersibility and luminescent properties of the samples and the properties of the samples after surface modification were studied.The effects of different metal complexing agents on the crystal properties and luminescent properties of Sr2MgSi2O7∶Eu2+,Dy3+ were studied by X-ray diffraction,excitation emission and afterglow properties.The effects of different metal complexing agents on the particle size and dispersibility of the particles were studied by SEM and TEM.The results show that the crystallization and luminescent properties of samples with adding EDTA are good and the particle size is 50-200 nm,which is the best additive for preparing Sr2MgSi2O7∶ Eu2+,Dy3+ nano-luminescent particles.In addition,after the surface modification of the sample,the connection of the functional group and the potential of the functional group were studied by infrared spectroscopy and Zeta potential analysis,The particle size distribution,morphology and core-shell structure of the surface modified samples were studied by nano-particle size analysis,SEM and TEM.The results show that the SiO2 shell is successfully coated on the surface of the sample,and the suspension performance of the long afterglow nanoparticles after SiO2 coating is proved by the suspension test.

Photocatalytic Degradation of Sulfamethazine by Using Synthesized g-C3N4/TiO2 under Visible Light

LI Yu-jie;ZHU Xiang;ZHANG Zhi;LU Peng;CAI Song-bo;LI Jun-hui;PENG Zhu-wei;WEI Ting

2017, 46(11):  2190-2196. 

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Graphitic carbon nitride/titanium dioxide (g-C3N4/TiO2)hybrid photocatalysts were synthesized by heating mixtures of commercial TiO2 particles and melamine.The g-C3N4/TiO2 samples were characterized by X-ray diffraction (XRD),scanning electron microscopy (SEM),transmission electron microscopy (TEM),low temperature nitrogen adsorption and UV-visible diffused reflectance spectroscopy (UV-vis DRS).The photocatalytic degradation of sulfamethazine (SMT) was investigated by using g-C3N4/TiO2 under visible light.The results show that TiO2 is distribute on layered structure of g-C3N4,and form g-C3N4/TiO2 with pore structure and larger specific surface areas.The g-C3N4/TiO2 has visible light response with absorption edge of 430 nm.When the dosage of g-C3N4/TiO2 is 0.2g/L,about 98.8; of SMT in solution is removed in 3 h with an initial concentration of 0.5 mg/L under visible light,much higher than g-C3N4 (57.8;) and TiO2 (9.7;).The results of active species trapping experiments reveal that the holes (h +) and superoxide radical (· O2-) make a major contribution in photocatalytic degradation of SMT by g-C3N4/TiO2.

Magnetic Properties and M(o)ssbauer Spectrum Analysis of Monodisperse BaFe12-xCuxO19 Nanoparticle

ZHANG Peng;ZHANG Xiao-ping;WANG Jun

2017, 46(11):  2197-2202. 

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BaFe12-xCuxO19(x =0,0.2,0.4,0.6,0.8) barium ferrite was prepared by hydrothermal method,and the effect of Cu2+ doping on microstructure and magnetic energy of BaFe12O19 was studied.Through the analysis of M(o)ssbauer spectrum,Cu2+ can quantitatively be controlled into the lattice of BaFe12O19.The samples with different doping amount were characterized by X-ray diffraction (XRD) and scanning electron microscopy (SEM),and the results show that the heat treatment of 800 ℃ can significantly improve BaFe12O19 crystalline nanoparticles.And the grain size of BaFe12O19 increases with the increase of Cu2+.From the results of magnetic measurement analysis,it can be learned that the proper incorporation of Cu2+ can reduce the coercivity of BaFe12O19 and the intensity of saturation magnetization,so that BaFe12O19 nanoparticles start to change from hard magnetism to soft and magnetic properties.

Study on the Preparation Techniques of Sr5 (PO4)2SiO4 Luminescence Material Doped with Rare Earth

LI Rui;LUO Feng-zhen;LUO Huan;LIU Yu-fei;CHEN Jin-ru;WEN Hao-xiang

2017, 46(11):  2203-2206. 

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Sr5 (PO4)2SiO4 luminescence material doped with rare earth was prepared by solid-state reaction method.The luminescence property of sample was investigated.Effects of the presintering temperature,sintering temperature and sintering time on the luminescence properties were explored.Sr4.975 (PO4) 2SiO4∶ 0.025Eu2+ can be well activated under UVLED about 400 nm.The phenomenon of double emission peak in the emission spectra were influenced by the matrix lattice structure.The results indicate that the best luminescence property can be obtained when presintering temperature is 850 ℃,sintering temperature is 1400 ℃ and sintering time is 600 min.

Study on the Mechanism of Femtosecond Laser Induced Damage to Two Dimensional Hexagonal Boron Nitride

REN Da-hua;XIANG Bao-yan;TAN Xing-yi;HU Cheng

2017, 46(11):  2207-2212. 

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As two dimensional hexagonal boron nitrides (h_BN) are applied in the fields of nano-electric and nano-optielectric,they are microprocessed by femtosecond (fs) pulsed laser and it is valuable to investigate the interplays of fs laser with h_BN.Mechanism of interactions between fs laser and h_BN nanosheet based on time dependent density functional theory was studied.It is found that B-H,N-H,B-N bond lengths are elongated as laser interacts h_BN and B-N bonds are gradually broken.Subsequently,structures of h_BN are damaged.Furthermore,it is also shown that the laser strength influences damage time when the bonds are firstly broken.Meanwhile,the distribution of charge densities which depends on laser polarization also catches variation.

Effect of Sintering Process System on Properties of Foam Ceramics from Vanadium Tailings

ZHAO Wei;WANG Zhu;GAO Jia-yan;HAN Xi

2017, 46(11):  2213-2218. 

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Shangluo vanadium tailings,potassium feldspar and clay as raw materials were used to make foam ceramics.After determination of the materials formula,the effects of sintering temperature,heating rate and soaking time on the bulk density and compressive strength of foam ceramics were investigated.The high-performance foam ceramics with light weight,high strength and low thermal conductivity were prepared at the optimal firing process.The results show that the optimal firing process is 8 ℃/min to 1000 ℃ from room temperature,and then 3 ℃/min to 1135 ℃ for 30 min.The bulk density,the compressive strength,and the thermal coefficient of the foam ceramics prepared at the optimal firing process is 420 kg/m3,3.1 MPa and 0.09 W/(m · K),respectively.

Study on Gelcasting Process of Zirconia Gel

DING Zhi-jing;HOU Yong-gai;HUANG Qing-fei;XIE Yu-bo

2017, 46(11):  2219-2223. 

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Ultrafine zirconia ceramic was prepared by gel-casting.The slurry with high solid and low viscosity was obtained by using small molecule PBTCA (2-phosphonobutane-1,2,4-tricarboxylic acid)as dispersant.The effects of the content of dispersant,the ratio of monomer to cross-linker and the content of initiator on the properties of green and zirconia ceramics were discussed.The results show that when the solid content is 50vo1;,the viscosity of slurry is 0.86 Pa · s with 0.2wt; dispersant added.When the ratio of monomer to cross-linker is 15∶1 and the dosage of initiator is 2.5wt;,the green bodies have the flexural strength of 29.56 MPa.After sintered at 1520 ℃,the density of zirconia ceramics can reach 5.96 g/cm3,and the flexural strength is 828.46 MPa.Through SEM observation,the structure is uniform and compact.

Solvothermal Preparation and Electrochemical Properties of Co-doped CaTi2O4 (OH)2 Nanosheet

DONG Wei-xia;BAO Qi-fu;Gu Xing-yong;YAN Chang-qing;QIU Bo-xin

2017, 46(11):  2224-2227. 

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CaTi2O4 (OH)2 nanosheet structure was prepared by doping Co ions using anhydrous calcium chloride-TBOT-anhydrous ethanol system via a simple solvothermal method.The microstructure of the samples were characterized by X-ray diffraction(XRD) and scanning electron microscopy (SEM).The electrical properties of the samples were analyzed by CHI660E electrochemical workstation.Effects of Co ions contents on phase,microstructure and electrical properties of the samples were studied.The results show that the capacity of the samples first increases and then decreases.When Co ions content is 0.2;,the optimum capacity value of the sample is 496.3 F · g-1 at 10 mA/cm2.

Preparation of High Mg Content Zn1-xMgxO Thin Films by Sol-gel Method

LI Mao-quan;DAI Ying

2017, 46(11):  2228-2232. 

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Zn1-xMgxO thin films were prepared on quartz glass substrates by sol-gel method.The effect of annealing temperature on phase composition,phase segregation and the absorption edge shift in the UV-Vis transmission spectra of high Mg content Zn0.5Mg0.5O thin films was discussed.When the annealing temperature was not more than 500 ℃,Zn0.5 Mg0.5 O film had no phase segregation occurred,and a largest blue shift of the absorption edge of the Zn0.5Mg0.5O thin films annealed at 400 ℃ was observed.Thus,for the Zn0.5Mg0.5O films,annealing temperature is the key factor of affecting the solid solubility of Mg2+ in ZnO,and 400 ℃ is the ideal annealing temperature.Under this condition,the bandgap adjustment of Zn1-xMgxO (x =0-0.8) thin films was studied.With the increase of Mg content,the optical transmission spectra showed that the absorption edge was blue shifted regularitily,and the bandgap tuning from 3.3 eV of pure ZnO to 4.2 eV by varying the Mg content.

Effect of Fused Magnesium Aluminate Spinel and Caustic Calcined Magnesia Powder on Synthesis of Magnesium-Iron-Aluminum Composite Spinel

WANG Yan-hui;CHEN Shu-jiang;LI Guo-hua;TIAN Lin

2017, 46(11):  2233-2237. 

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This paper studies the effects of fused magnesium aluminate spinel and caustic calcined magnesia on synthesis of magnesium-iron-aluminum composite spinel.Fused magnesium aluminate spinel and caustic calcined magnesia hydroxide are evenly mixed with activated alumina and ferric hydroxide to prepare specimens with diameter of 20 mm× 10 mm,under air atmosphere sintering condition,the 1550 ℃ by 6 h high temperature sintering.The phase composition and microstructure of the samples were characterized by analysis of XRD,SEM and EDS.The results show that fused magnesium aluminate spinel is added to the sample,it generated corundum,hematite,hercynite and magnesium-iron-aluminum composite spinel phase four mineral phases,the chemical formula of magnesium-iron-aluminum composite spinel is Mg7.96Al15.31 Fe0.68O32,caustic calcined magnesia is added to the sample,it generated corundum phase,hercynite and magnesium-iron-aluminum composite spinel three mineral phases,the chemical formula of magnesium-iron-aluminum composite spinel is Al15.71 Mg3.35 Fe4.94 O32,the grain size of magnesium-iron-aluminum composite spinel is not much difference between grain size of hercynite in the sample of adding with fused magnesium aluminate spinel,hercynite is obviously biger than magnesiumiron-aluminum composite spinel in the sample of adding with caustic calcined magnesia.

Research Progress of Vanadium Phosphate Sodium for Cathode Material of Na-ion Batteries

LI Ling-fang;YANG Jia-xing;WU Chao

2017, 46(11):  2238-2243. 

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NASICON type vanadium phosphate sodium has 3D frame structure,relative high charge/discharge voltage platform,high storage capacity and good cycle stability.Thus it is a prospective cathode material for Na-ion batteries.By means of plentiful literature sum-up,the crystal structure,electrochemical performance,synthetic and modified methods were introduced.In the current study,solid state method and sol-gel method are the most popular synthetic ways,and besides,spray drying process,hydrothermal method,electrostatic spinning process are also available.The mainly four modified methods are carbon-coating by different carbon source,ion doping,recombination with high conductive substances and nanocrystallization.After modification,conductive and electrochemcial performance of vanadium phosphate sodium were improved impressively,thus the utility progress can be promoted.effectively.

Sucrose Assisted Hydrothermal Synthesis of ZnO and Its Photocatalytic Properties

LIU Xin;LI Jia-ke;WAN Qian-yun

2017, 46(11):  2244-2247. 

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ZnO was prepared using zinc nitrate as source of zinc and sucrose as complexing agent by hydrothermal method.The effect of heat treatment on phase composition,microstructure and photocatalytic properties of synthetic products was investigated.Samples were characterized by XRD,SEM,ultraviolet-visible spectrophotometer and other testing methods.The photocatalytic properties of samples were evaluated by degradation of methylene blue solution.The results show that heat treatment is helpful to improve the crystalline structure and photocatalytic activity of ZnO.The degradation rate of sample after heat treatment to methylene blue reaches 98.4; when irradiated under high pressure mercury lamp for 240 min and 52.3 ; higher than untreated sample under the same conditions.

Research Progress on Preparation and Supercapacitance Performance of Graphene/Polyaniline Composites

HOU Zhao-xia;ZOU Sheng-nan;WANG Mei-han;HU Xiao-dan;YANG Li-rong

2017, 46(11):  2248-2254. 

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In recent years,the graphene/polyaniline composites with excellent electrochemical performance have aroused extensive concern of domestic and foreign scholars.Graphene is of large specific surface area and double layer capacitance characteristics,while polyaniline is with high faradaic pseudocapacitance,the synergy of both makes the supercapacitance performance of the composites increase greatly.The preparation methods of the graphene/polyaniline composites and the influence factors of the capacitance performance were introduced,the constructing methods of three-dimentional structure of graphene/polyaniline composites were summarized,and the future research trends of the composites in supercapacitor fields were prospected as well.

Application of Nano-SiO2 and Effect on the Jun Porcelain Glaze Properties

FA Wen-jun;LU Qiang;WU Ya-juan;ZHU Cong-xu;FENG Ming-hua;LI Ying-zhou;QI Hui-suo

2017, 46(11):  2255-2259. 

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Addition of transition metal oxides in the Jun porcelain glaze could make the Jun porcelain show colorful glaze,but it also resulted in a large number of flows of glaze.In the traditional Jun porcelain,flow of glaze would bring the beauty of art.However,serious flow of glaze destroyed the artistry and quality of Jun porcelain.In order to research the effect of nano-SiO2 to the property of glaze,2wt; or 4wt; nano-SiO2 was added into the Jun porcelain glaze.The effect of adding SiO2 for the microstructure and properties of Jun porcelain glaze were studied through powder X-ray diffraction (XRD),scanning electron microscopy (SEM) and energy-dispersive X-ray spectroscopy (EDS).The results show that adding SiO2 can improve the chemical stability and thermal stability of glaze.It also can decrease the flow of glaze and increase the brightness and quality of glaze.

First-principle Calculation on Phonon Dispersion and Thermodynamic Property of Cubic Ca2 Si

CEN Wei-fu;YANG Yin-ye

2017, 46(11):  2260-2265. 

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Phonon dispersions,density of phonon states and thermodynamic property of cubic Ca2Si have been calculated by the Norm-Conserving method and Ultra Soft Pseudo-Potential method,respectively.The phonon dispersion and density phonon states of cubic Ca2Si have been confirmed by linear response method and finite displacement method.The result of phonon dispersion and density phonon states show that cubic phase was an unstable structure and the phonon vibration was anisotropic.The heat capacity,enthalpy,entropy and free energy were changed with temperature changing,and the Cv-T curve conformed to the Debye third power law in the low temperature condition.The heat capacity Cv =21 J ·mol-1 · K-1 at 1000 K,in the high temperature condition the CV→3R with the temperature increasing.The results of the study on the dispersion of phonon,phonon density and thermodynamic property were obtained that the oscillatory systems were formed with phonon and electron.

Purification of High-grade Diatomite from Linjiang by Physical and Chemical Method

JIA Ze-hui;HU Ying-yuan;ZHANG Xiao-chao;WANG Ya-wen;WANG Yun-fang;FAN Cai-mei;LI Shuang-zhi

2017, 46(11):  2266-2270. 

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The high-grade Linjiang diatomite was treated via a physical chemistry strategy combining by ultrasound,acid-leaching and calcination procedures.The effects of sulfuric acid concentration,acid-leaching mode and calcination temperature on pristine diatomite were discussed based on its morphology,specific surface area,absorptive capacity and purity analysis.Moreover,the Fourier transform infrared spectroscopy was used to analysis the spectrums of raw and purified diatomite.In the end,we concluded the optimal purity conditions:After using 28; H2SO4 (water bath) and 500 ℃ calcination to treat the pristine diatomite,the specific surface area,the content of SiO2 and adsorbing capacity of purified diatomite to Rhodamine B are reach 27.79 m2 · g-1,93.42; and-1.94 mg · g-1,respectively;After using 28; H2SO4 (hydrothermal) and 500 ℃ calcination,the specific surface area,the content of SiO2 and adsorbing capacity to Rhodamine B are reach 25.10 m2 · g-1 93.52; and 1 84 mg · g-1 respectively.

Low Temperature Denitrification of Mn-Ce/TiO2 Catalyst Prepared by Coprecipitation Method

WANG Xian-zhong;WU Yan-xia;ZHAO Chun-lin;LIANG Hai-long;CHEN Xin;TANG Jie

2017, 46(11):  2271-2276. 

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Mn-Ce/TiO2 catalysts were prepared by coprecipitation method using NH4OH,(NH4)2CO3 and NaOH as precipitants,and the catalysts were characterized by XRD,BET,NH3-TPD and XPS.The effect of precipitant on SCR denitrification of Mn-Ce/TiO2 catalyst was discussed.The results show that Mn-Ce/TiO2 catalyst prepared with NH4OH as precipitant exhibits the best low temperature denitrification activity compared with (NH4)2 CO3 and NaOH.When the space velocity is 16000 h-1 and the loading of the active component is 15;,the NO removal rate of the catalyst is above 85; at 80 ℃.This is mainly due to the fact that the manganese oxide in the catalyst is mainly in the amorphous state;its pore structure is more refined,the pore size is smaller and the larger pore volume provides favorable conditions for the uniform loading of the active component;The catalyst has more weak acid sites and moderate acid sites,and has good redox resistance,which is favorable for the adsorption and oxidation of NO and NH3,which effectively promotes the low temperature SCR denitrification activity of the catalyst.

Preparation and Properties of HNTs/SiO2 Composite Aerogels

LIU Hong-li;HE Xiang;LI Hong-yan;YANG Ai-wu;XIAO Ran;WEI Ning

2017, 46(11):  2277-2282. 

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HNTs/SiO2 composite aerogels with excellent mechanical properties and thermal insulation performance were prepared via supercritical CO2 drying,employing tetraethoxysilane (TEOS) as silicon source and halloysite nanotubes (HNTs) modified by isooctyltriethoxy silane as reinforcing phase.Surface states of HNTs after modification,the morphology,pore structure,mechanical properties,and thermal conductivity of composite aerogels were investigated by FTIR,SEM,surface area and porosity analyzer,universal testing machine and thermal conductivity measurement.Our results reveal that the modified HNTs are uniformly dispersed into the silica gel matrix,and make good combinations with SiO2 nanoparticles.HNTs/SiO2 composite aerogels exhibit a three-dimensional network structure,when the content of HNTs is 15wt;,the average pore size of aerogels is 10.47 nm;with the increase of HNTs content,the mechanical properties of composite aerogels are improved,and the thermal conductivity also increase continuously.When the HNTs content is 15wt;,the compressive strength of HNTs/SiO2 composite aerogel is 0.85 MPa,and the thermal conductivity is 0.024 W/mK.

Study on Thiophene Alkylation Properties of ZSM-5 Zeolite with Acid and Alkali Modification

CHEN Wen-wen;WANG Hai-yan;LIU Dong-mei;MAO Yan-hong

2017, 46(11):  2283-2289. 

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ZSM-5 zeolites were firstly treated by alkali solution.Then the HZSM-5 molecules of alkali treatment were washed by useing different concentrations of citric acid to prepare the HZSM-5 multiple microporous and mesoporous.The samples were characterized by XRD,SEM,N2 desorption,NH3-TPD and other.It has been investigated that the effect of acid washing after alkaline treatment on the structure and properties of HZSM-5 molecular sieves,It is show that:ZSM-5 molecular sieve catalyst after Alkali treatment are treated by proper concentration citric acid,which can clear the impurities remaining in the molecular sieve channel and expand the pore size of molecular sieve.The initial activity and stability of each catalyst thiophene alkylation before and after modification were studied on a small fixed bed reactor.It is show that through after alkali treatment,and washed with proper concentration of citric acid,the initial activity of the catalyst is lower than the alkali modified zeolite,but it has better stability,and which is more suitable for thiophene alkylation.

Effect of Sintering Temperature on the Electrochemical Properties of the LiNi0.5Mn1.5O4 Synthesized by Sol-gel Method

CHANG Long-jiao;LIU Jia-nan;LIU Lian-li

2017, 46(11):  2290-2294. 

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The high-capability LiNi0.5Mn1.5O4 was synthesized by using high temperature to roast the precursor of the traditional sol-gel method.The crystal structure was tested by X-ray diffraction.The structure of the samples which was roasted at high temperature was perfect.The cycle capability was significantly improved after being roasted at high temperature.The first charge-discharge capacity of the sample which is roasted at 900 ℃ is about 123 mAh/g and it is 121.6 mAh/g after circulated 100 cycles at 1 C and the rate of capacity retention is 98.9;.The cycle capability was improved obviously after being roasted at high temperature.

Preparation of Graphene Oxide/Alumina Composite Materials Through Sol-gel Method

WANG Tao;JIANG Ming-hui;ZHANG Hui-feng;XIAO Wei-wei

2017, 46(11):  2295-2298. 

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In this work,with aluminium isopropoxide (AlIP) and an aqueous suspension of graphene oxide(GO) as raw materials,composites of graphene oxide and alumina (GO/Al2O3) with different GO to AlIP ratios were prepared by sol-gel method.The scanning electron microscopy (SEM) and transmission electron microscopy (TEM) images show that the as-obtained composites have unique structures in which the GO sheets coated by nano-particles.The particles were demonstrated to be alumina by X-rays diffraction (XRD),and the average grain size of the particles was demonstrated about 50 nm by atomic force microscope (AFM).The growth mechanism of the composites was proved.First of all GO combined with AlIP molecules,and then AlIP hydrolyzed into small AlOOH particles on the surfaces of GO plates.As the reaction proceeding,particles gradually grew up.Eventually through the high temperature treatment,AlOOH turned into Al2O3.

Synthesis and Crystal Structure of Ni (Ⅱ) Complex Based on 1,4,7-tris (2-hydroxypropyl)-triazacyclodecane Ligand

LI Na;YANG Ruo-lan;GUO Hui

2017, 46(11):  2299-2303. 

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The N-functionalized macrocyclic triamines derivatives have diverse applications in bioinorganic chemistry field.However,for the ten-member 1,4,7-triazacyclodecane (TACD),its N-Functionalized derivatives are less frequently reported because of their difficulty for synthesis.In this study,the complex of [NiL] [ClO4]2 based on N-functionalized ten-member TACD derivatives 1,4,7-tris (2-hydroxypropyl)-triazacyclodecane was synthesized and characterized by physico-chemical and spectroscopic methods.The crystal structure of [NiCl] · [ClO4]2 was determined by X-ray,which indicated the complex belongs to crystallographic system of monoclinic and space group:P2 (1)/n.The complex is hexacoordinate that six coordinating atoms come from three nitrogen atoms and three oxygen atoms of the ligand,and the center Ni atom exists in a distortion three prism coordination environment.A regular supramolecular network structure are formed through the hydrogen bonding N-H…O among the N atoms of the ligand and O atoms from perchlorate anion.

High-quality MgF2 Single Crystal Grown by Czochralski Method

XU Chao;ZHANG Qin-hui;LIU Xiao-yang;LIU Jian-qiang;SHI Da-wei;ZHANG Yun-tian;ZHEN Xi-he

2017, 46(11):  2304-2305. 

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The compatible temperature field for MgF2 single crystal grown by Czochralski method was designed.The high-quality MgF2 single crystal with the diameter of 100 mm was successfully grown by this method.The single crystal shows no macroscopic defect or crack,and no bubble was found in the crystal.After artificial annealing,the transmittance of the crystal is as high as 95;,and the stress birefringence is less than 0.5 nm/cm.These results show that high-quality MgF2 single crystal can be grown by means of Czochralski method.