Research of {0001} crystal orientation for magnesium alloys solidified in a fashion of cellular crystals

The magnesium alloy grew in a fashion of cellular crystals during the process of unidirectional solidification, and the {0001} crystal face orientation in the cast ingot of the magnesium alloy was studied. The theoretical model and methodology were set up, and a cor-responding experiment was carried out to verify the theoretical analysis results. The experimental results indicate that the {0001} crystal face of magnesium crystals parallels to the width direction for the thin-plate cast ingot when the magnesium grows in a manner of cellular crystals. The separation angle between the {0001} crystal face of magnesium crystals and the vertical axis line of the cast ingot is about 62° for the circular column cast ingot, which distributes in cone-type. The theoretical analysis results are basically in agreement with the experimental ones of previous literatures and this paper.

Mosaic structure ZnO formed by secondary crystallization with enhanced photocatalytic performance

Zinc acetate is used as a raw material to synthesize the desired ZnO in hot solvent by controlling the amount of citric acid(CA)added.Notably,the amount of CA added has a significant relationship with the control of the morphology of ZnO.Spherical ZnO wrapped in nanosheets is synthesized through the secondary crystallization of Zn^(2+).The optical properties of the ZnO sample are tested through the degradation of organic pollutants.Notably,the photocatalytic properties of ZnO vary with the different amounts of CA added.Exposure of the active crystal face increases the photocatalytic activity of ZnO.In addition,the number of defects on the surface of the ZnO sample increases because of its large specific surface area,thus changing the bandgap of ZnO.Therefore,the resulting sample can respond under visible light.

CYCLIC DEFORMATION OF FACE CENTERED CUBIC CRYSTALS AND ITS DISLOCATION INTERACTION MODEL——Ⅱ.DISLOCATION INTERACTION MODEL OF CYCLIC DEFORMATION

A dislocation interaction model has been proposed for cyclic deformation of fcc crystals.Ac- cording to this model,cyclic stress-strain responses and saturation dislocation structures of a crystal are associated with the modes and intensities of dislocation interactions between slip systems active in the crystal; and,hence,may be predicted by the location of its tensile axis in the crystallographic triangle.This model has successfully explained the different behaviours of double-slip crystals and multi-slip behaviours of some crystals with orientations usually con- sidered as single-slip ones.

Stability of Crystal Growth Face and Dissolution Face in Crystallization from Solution under Microgravity

The stability of the shapes of crystal growth face and dissolution face in a two-dimensional mathematical model of crystal growth from solution under microgravity is studied. It is proved that the stable shapes of crystal growth face and dissolution face do exist, which are suitably shaped curves with their upper parts inclined backward properly.The stable shapes of crystal growth faces and dissolution faces are calculated for various values of parameters, Ra, Pr and Sc. It is shown that the stronger the convection relative to the diffusion in solution is, the more backward the upperparts of the stable crystal growth face and dissolution face are inclined. The orientation and the shape of dissolution face hardly affect the stable shape of crystal growth face and vice versa.

Improved photocatalytic performance of acetaldehyde degradation via crystal plane regulation on truncated octahedral CeO_(2)

In this study,the truncated octahedral CeO_(2)(CeO_(2)-to)with special morphology was prepared by the solvothermal method with oleic acid(OA)and oleamine(OM)as the morphology-directing agents.High-resolution transmission electron microscopy(HRTEM)results show that CeO_(2)-to exposes composite{100}and{111}facets,while CeO_(2)cubic(CeO_(2)-c)and CeO_(2)octahedral(CeO_(2)-o)only expose single crystal facets of{100}plane and{111}plane,respectively.Interestingly,this CeO_(2)-to photocatalyst exhibits remarkable photooxidation performance of gaseous acetaldehyde(CH_(3)CHO)degradation,in which CO_(2)generation value reaches 1.78 and 7.97-times greater than that of CeO_(2)-c and CeO_(2)-o,respectively.In addition,the active species trapping experiment signifies that superoxide(·O_(2)^(-))and holes(h^(+))are the main reactive substances during the CH_(3)CHO degradation process,and the electron paramagnetic resonance(EPR)spectra indicates that the former is the major contributor.Notably,the electron transfer mechanism between CeO_(2)-to{100}and{111}facets and the surface oxygen adsorption ability are revealed via density functional theory(DFT)calculations.It is also confirmed that{100}facets are more conducive to the absorption of acetaldehyde than{111}facets.Finally,a reasonable mechanism for improved photocatalytic CH_(3)CHO degradation on CeO_(2)-to is proposed based on relevant experiments and DFT calculations.This study demonstrates that the systematic development of surface homojunction structured photocatalysts can efficiently increase the degradation activity for volatile organic compounds(VOCs).It also offers additional direction for optimizing the photocatalytic activity of other ceriumbased photocatalysts.

Crystal facet-dependent CO_(2) cycloaddition to epoxides over ZnO catalysts

With regard to green chemistry and sustainable development,the fixation of CO_(2) into epoxides to form cyclic carbonates is an attractive and promising pathway for CO_(2) utilization.Metal oxides,renowned as promising eco-friendly catalysts for industrial production,are often undervalued in terms of their impact on the CO_(2)addition reaction.In this work,we successfully developed ZnO nanoplates with(002)surfaces and ZnO nanorods with(100)surfaces via morphology-oriented regulation to explore the effect of crystal faces on CO_(2) cycloaddition.The quantitative data obtained from electron paramagnetic resonance spectroscopy indicated that the concentration of oxygen vacancies on the ZnO nanoplate surfaces was more than twice that on the ZnO nanorod surfaces.Density functional theory calculations suggested that the(002)surfaces have lower adsorption energies for CO_(2) and epichlorohydrin than the(100)surfaces.As a result,the yield of cyclochloropropene carbonate on the ZnO nanoplates(64.7%)was much greater than that on the ZnO nanorods(42.3%).Further evaluation of the reused catalysts revealed that the decrease in the oxygen vacancy concentration was the primary factor contributing to the decrease in catalytic performance.Based on these findings,a possible catalytic mechanism for CO_(2) cycloaddition with epichlorohydrin was proposed.This work provides a new idea for the controllable preparation of high-performance ZnO catalysts for the synthesis of cyclic carbonates from CO_(2) and epoxides.

Preparation of{200}crystal faced SnO_(2) nanorods with extremely high gas sensitivity at lower temperature

Demand for simple and effective gas sensing sensors is growing rapidly due to the growing threat of triethylamine(TEA).Semiconductor tin oxide(SnO_(2))is one of the most widely used sensing materials for metal oxide gas sensors.In recent years,a lot of binary ternary compound researches have been carried out.In this paper,five different SnO_(2) samples were synthesized by simple synthesis method to understand the internal relationship and obtain different gas sensing characteristics.Based on the low temperature nitrogen adsorption tests and the atomic arrangement model,it can be inferred that different exposed surfaces play a key role in TEA sensing properties.In addition,the TEA sensing activity relationship of SnO_(2) exposed crystal faces is proposed as listed:(200)>(101)>(110).

Enhancements of dimethyl carbonate synthesis from methanol and carbon dioxide:The in situ hydrolysis of 2-cyanopyridine and crystal face effect of ceria

This paper describes the effect of the in situ hydrolysis of 2-cyanopyridine and its derivatives on the synthesis of dimethyl carbonate（DMC） from CO2 and methanol over CeO2.2-Cyanopyridine.with the highest electronic charge number of the carbon in the cyanogroup,is the most effective agent to accelerate the desired reaction by a decrease of water.CeO2（110） planes are active for the hydrolysis of 2-cyanopyridine,further enhancing the DMC formation by in situ removal of water effectively.The DMC yield is improved drastically up to 378.5 mmol g cat^-1 from 12.8 mmol g cat^-1 with the in situ hydrolysis of 2-cyanopyridine over rod-CeO2（1 1 0） catalyst.