Effect of Additives on the Morphologies of Cuprous Oxides by Electrodeposition

Cuprous oxides with different morphologies were formed on F-doped tin oxide （FTO） covered glass substrates by potentiostatic deposition of cupric acetate. The effects of CTAB and Cl- on the crystal morphologies of cuprous oxide were studied. Different crystal morphologies of cuprous oxides were obtained by the change of the concentrations of CTAB and Cl. The flowerlike and cubic morphologies of Cu2O crystals were obtained when using higher concentration of CTAB and KCl, respectively. Photoelectrochemical properties of the Cu2O thin films prepared in the system were also studied.

Morphologies and Structures of Perovskite Thin Film on Zn-face and O-face of ZnO Single Crystal

ZnO single crystal was used as the substrate to study the effect of ZnO crystal plane polarity on the morphology and structure of CH_3NH_3PbI_3（MAPbI_3） perovskite film and carrier transport properties,which is meaningful for improving ZnO-based perovskite solar cell. It is found that perovskite thin film has small grain size（about 190 nm） and high coverage rate on the O-face of ZnO single crystal,and the dominant exposed crystal plane of perovskite film is（110） plane. While the MAPbI_3 thin film has large grain size（about 1.03 μm） and low coverage rate on the Zn-face,and the（022） plane is dominantly exposed for the perovskite film. The injection of photogenerated electrons from MAPbI_3 film into the O-face of ZnO single crystal is faster and more effective than that to Zn-face. It is supposed that O-face is more suitable for ZnO single crystal based perovskite cell fabrication than Zn-face.

Morphology prediction of dihydroxylammonium 5,5'-bistetrazole-1,1'-diolate (TKX-50) crystal in different solvent systems using modified attachment energy model

In order to theoretically study the growth morphology of dihydroxylammonium 5,5’-bistetrazole-1,1’-dio late(TKX-50)crystal in different solvent systems,crystal–solvent models were established,and then molecular dynamics(MD)methods were adopted as a means to simulate particle motion.Modified attachment energy(MAE)model was employed to calculate the growth morphology of TKX-50.The simulation results demonstrate that COMPASS force field and RESP charge are suitable for molecular dynamics simulation of TKX-50.The morphologically dominant growth surfaces of TKX-50 in vacuum are(020),(011),(11–1),(100)and(120),respectively.In water(H_(2)O)and N,N-dimethylformamide(DMF)solvents,the(11–1)face is the largest in the habit face,the growth rate of(020)face becomes faster.With the increase of temperature,the aspect ratios of TKX-50 crystal in DMF solvent increase,and the areas of the(120)faces decrease.In ethylene glycol/H_(2)O mixed solvent system with volume ratio of 1/1,aspect ratio of TKX-50 is relatively small.In formic acid/H_(2)O mixed solvents with different volume ratios(1/4,1/3,1/2,1/1 and 2/1),aspect ratio of TKX-50 is relatively small when volume ratio is 1/2.

Hydrogen-bond mediated and concentrate-dependent NaHCO_(3) crystal morphology in NaHCO3–Na2CO3 aqueous solution: Experiments and computer simulations

Adding Na_(2)CO_(3) to the NaHCO_(3) cooling crystallizer, using the common ion effect to promote crystallization and improve product morphology, is a new process recently proposed in the literature. However, the mechanism of the impact of Na_(2)CO_(3)on the crystal morphology is still indeterminate. In this work, the crystallization of NaHCO_(3)in water and Na_(2)CO_(3)–NaHCO_(3) aqueous solution was investigated by experiments and molecular dynamics simulations(MD). The crystallization results demonstrate that the morphology of NaHCO_(3) crystal changed gradually from needle-like to flake structure with the addition of Na_(2)CO_(3). The simulation results indicate that the layer docking model and the modified attachment energy formula without considering the roughness of crystal surface can obtain the crystal morphology in agreement with the experimental results, but the lower molecules of the crystal layer have to be fixed during MD. Thermodynamic calculation of the NaHCO_(3) crystallization process verifies that the common ion effect from Na^(+)and the ionization equilibrium transformation from CO_(3)^(2-) jointly promote the precipitation of NaHCO_(3) crystal. The radial distribution function analysis indicates that the oxygen atoms of Na_(2)CO_(3) formed strong hydrogen bonds with the hydrogen atoms of the(0 1 1) face, which weakened the hydration of water molecules at the crystal surface, resulting in a significant change in the attachment energy of this crystal surface. In addition, Na+and CO_(3)^(2-) are more likely to accumulate on the(011) face,resulting in the fastest growth rate on this crystal surface, which eventually leads to a change in crystal morphology from needle-like to flake-like.

Theoretical study on the morphology of cobalt nanoparticles modulated by alkali metal promoters

Cobalt nanoparticles(NPs)catalysts are extensively used in heterogeneous catalytic reactions,and the addition of alkali metal promoters is a common method to modulate the catalytic performance because the catalyst's surface structures and morphologies are sensitive to the addition of promoters.However,the underlying modulation trend remains unclear.Herein,the adsorption of alkali metal promoters(Na and K)on the surfaces of face-centered-cubic(FCC)and hexagonal-closest packed(HCP)polymorphous cobalt was systematically investigated using density functional theory.Furthermore,the effect of alkali promoters on surface energies and nanoparticle morphologies was revealed on the basis of Wulff theory.For FCC-Co,the exposed area of the(111)facet in the nanoparticle increases with the adsorption coverage of alkali metal oxide.Meanwhile,the(311),(110),and(100)facets would disappear under the higher adsorption coverage of alkali metals.For HCPCo,the Wulff morphology is dominated by the(0001)and(1011)facets and is independent of the alkali metal adsorption coverage.This work provides insights into morphology modulation by alkali metal promoters for the rational design and synthesis of cobalt-based nanomaterials with desired facets and morphologies.

Morphological Change of Cocrystal Bis(8-Quinolinolato) Copper(II): 7,7,8,8-Tetracyanoquinodimethane Polymorphism

We studied cocrystal of bis(8-quinolinolato) copper(II) (CuQ2) and 7,7,8,8-tetracyanoquinodimethane (TCNQ), which change dramatically crystal shape in a moment by adding press on crystal face. Single crystal was prepared by dissolving CuQ2 and TCNQ in chloroform by evaporation of the solution at ambient conditions. We investigated about crystal structure and morphological change properties. We proclaim that this phenomenon is solid phase transition to Form I from Form II, it is caused by pressure on the crystal face (001) of Form II and the crystal expansion direction is the side face (100). We take note of the common structure between polymorph and explain that this transition occurs by the structure like dominoes falling. We obtained a correlation between molecular level structure change and macroscopic shape changes.

Crystals of suspended marine barite in the eastern equatorial Pacific:processes of dissolution and effects on crystal morphology

Suspended particulate substances were sampled in the eastem equatorial Pacific in water column from surface to near bottom in five stations in 2005, from which 868 barite crystals were recovered. The barite crystals were examined under scanning electron microscopy. About 61% of the total barites crystals contained detectable Sr by energy dispersive X-ray spectrometry. Barite crystals could be classified into four groups based on their morphology： 1） bladed; 2） ovoid or rounded; 3） arrow-like; and 4） irregularly shaped. The arrow-like barite crystals in natural environment has never been reported before. In addition, about a half of the studied crystals showed features of dissolution as cavities or holes inside of the crystals or around their edges. We found that differential dissolution of barite crystals is consequence of heterogeneous Sr distribution in barite crystals. Our results would help in understanding the biogeochemical processes of marine barite formation and preservation in seawater and marine sediments.

Stress and morphology of a nonpolar a-plane GaN layer on r-plane sapphire substrate

The anisotropic strain of a nonpolar （1120） a-plane GaN epilayer on an r-plane （1102） sapphire substrate, grown by low-pressure metal-organic vapour deposition is investigated by Raman spectroscopy. The room-temperature Raman scattering spectra of nonpolar a-plane GaN are measured in surface and edge backscattering geometries. The lattice is contracted in both the c- and the m-axis directions, and the stress in the m-axis direction is larger than that in the c-axis direction. On the surface of this sample, a number of cracks appear only along the m-axis, which is confirmed by the scanning electron micrograph. Atomic force microscopy images reveal a significant decrease in the root-mean-square roughness and the density of submicron pits after the stress relief.

Undercooling and solidification of Ni_(77)P_(23) alloy in a 52-m drop tube

This paper applies techniques of containerless processing, drop tube and glass fluxing, to undercool and solidify Ni77P23 alloys. Different diameter spheres were collected at the bottom of a 52-m long drop tube. Both crystalline and amorphous phase were formed in various size specimens due to the different cooling rate. The variation of partial undercooling with bulk undercooling is calculated for the Ni77P23 alloys. The deep undercooling and rapid solidification behaviour of Ni77P23 melts has been analysed with respect to microstructure formation and transition during fluxing and 52-m drop process of undercooled melts.

Effect of solvent on the crystal morphology of royal demolition explosive

Important crystal faces that dominate the crystal morphology of royal demolition explosive （RDX） in vacuum were analyzed with the attachment energy （AE） method. Molecular dynamics （MD） simulations were used to calculate the interaction energies between these crystal faces and different solvent molecules for an attachment energy correction. Growth habits in the presence of different solvents were generated. The results showed that some crystal faces in solutions became morphologically more important than that in vacuum while others became less important. Thus, crystal shape and surface property changed a lot with the variation of crystal faces. The results from calcula- tion were in agreement with those from the re-crystallization experiment, which indicated that cyclohexanone （CH） was a promising solvent to modify the crystal morphology of RDX for obtaining products with regular shape and high purity, while butyrolactone （BL） played a great role in improving the surface electrostatic property of RDX.

Synthesis and Analysis of Tm^(3+) Doped YF_3 Upconversion Luminescent Nano-materials

Upconversion （UC） phosphor Tm3＋ doped YF3 nano-erystals were prepared by hydrothermal method under different conditions and characterized by Field Transmission electron microscopy （TEM）, Scanning electron microscopy （SEM） and X-ray diffraction （XRD）. Their UC luminescence properties were studied by fluorescence spectrophotometer with 980 nm diode laser excitation, and impact of different grain sizes and morphology on the UC luminescence intensity was discussed. The fluorescence decay lifetime was calculated by Multi-exponential function fitting method. Results show that UC emission intensity was enhanced with the reduction of grain size, and the decay lifetime is 0.60 us.

Preparation of tetrapod-like ZnO whiskers from waste hot dipping zinc

Large and uniform tetrapod-like ZnO whiskers （T-ZnO） were prepared from waste hot dipping zinc by vapor oxidation and examined by means of X-ray diffraction and ICP-AES analysis and scanning electron microscope. The products are pure hexagonal wurtzite crystals with tetrapod shape and edge size of center body 56 μm and needle length of 100130 μm. The size and shape of ZnO particles are fully controlled by the growth conditions and T-ZnO can be obtained only at 8501 000 ℃ and total gas flow rate ranging from 40 to 250 L·h-1 in which the size of the T-ZnO particles varies slightly with temperature. The process of the formation of T-ZnO is that T-ZnO may nucleate at the initial stage with a complete tetrapod shape and develop to the large size, but not the process of （preferential） growth of octahedral nuclei and subsequent growth of the needles. The experiment presents a new method to prepare T-ZnO economically by using the waste hot dipping zinc.

Growth Habit of the Basic Oxysulfate Magnesium Whisker

The growth habit of the basic magnesium oxysulfate whisker was investigated based on the theoreticalmodelof anion coordination polyhedron growth units.It is found that typicalbasic magnesium oxysulfate whisker growth is consistent with anion tetrahedralcoordination incorporation rules.The growth units of basic magnesium oxysulfate whiskers are [Mg-（OH）_4]^（2-） and HSO_4^-.[Mg-（OH）_4]^（2-） is the favorable growth unit and whisker growth is in the direction of the [Mg-（OH）_4]^（2-） combination.A plurality of [Mg-（OH）_4]^（2-） s combine and become a larger dimensionalgrowth unit in a one-dimensionaldirection.Then HSO_4^- and larger dimensionalgrowth units connect as basic magnesium sulfate whiskers,according to the structuralcharacteristics of the basic magnesium sulfate whisker,which can guide the synthesis of magnesium hydroxide whisker.

Analysis of the induction of the myelin basic protein binding to the plasma membrane phospholipid monolayer

Myelin basic protein（MBP） is an essential structure involved in the generation of central nervous system（CNS）myelin.Myelin shape has been described as liquid crystal structure of biological membrane.The interactions of MBP with monolayers of different lipid compositions are responsible for the multi-lamellar structure and stability of myelin.In this paper,we have designed MBP-incorporated model lipid monolayers and studied the phase behavior of MBP adsorbed on the plasma membrane at the air/water interface by thermodynamic method and atomic force microscopy（AFM）.By analyzing the pressure–area（π–A） and pressure–time（π–T） isotherms,univariate linear regression equation was obtained.In addition,the elastic modulus,surface pressure increase,maximal insertion pressure,and synergy factor of monolayers were detected.These parameters can be used to modulate the monolayers binding of protein,and the results show that MBP has the strongest affinity for 1,2-dipalmitoyl-sn-glycero-3-phosphoserine（DPPS） monolayer,followed by DPPC/DPPS mixed and1,2-dipalmitoyl-sn-glycero-3-phospho-choline（DPPC） monolayers via electrostatic and hydrophobic interactions.AFM images of DPPS and DPPC/DPPS mixed monolayers in the presence of MBP（5 n M） show a phase separation texture at the surface pressure of 20 m N/m and the incorporation of MBP put into the DPPC monolayers has exerted a significant effect on the domain structure.MBP is not an integral membrane protein but,due to its positive charge,interacts with the lipid head groups and stabilizes the membranes.The interaction between MBP and phospholipid membrane to determine the nervous system of the disease has a good biophysical significance and medical value.

Interfacial evolution of a spherical particle in a uniaximal straining flow

The growth behavior of a spherical particle in undercooled melt,affected by uniaxial straining flows,is studied.The analytical solution obtained by the matched asymptotic expansion method shows that the uniaxial straining flow effect results in higher local growth rate near the surface where the flow comes in and lower local growth rate near the surface where the flow goes out,and that the uniaxial straining flow causes an initially spherical particle to evolve into an oblate spheroid.

GROWTH MODE AND MODIFICATION OF GRAPHITE IN CAST IRON MELT

Using liquid quenching technique,the change of growth mode of graphite in cast iron melt was analysed.Based on the interface structure theory of crystal growth,the concept of multiplication of spiral growth steps was advanced and two basic multiplication models were given.It was proposed that multiplication of spiral steps is responsible for the change of growth mode of graphite in cast iron melt.The modifying elements such as Ce promote multiplication of spiral steps,which is regarded as the core of modification.Origination of screw dislocation and branch of the sector blocks in radius direction,both of which are essential to spheroidization of graphite in the melt,are caused by multiplication of spiral steps:and so is thickening of graphite plates.

AFM STUDY ON THE MORPHOLOGICAL CHANGE OF Zn ELECTRODEPOSIT

Nano-sized growth of zinc electrodeposit on the ferrite substrate has been studied by means of in situ scanning tunnel microscopy (STM) and atomic force micoscopy (AFM). It is found that the morphology of zinc electrodeposit varies from initial about 30nm granular crystals to layered platelet crystals with increasing deposition time by using in situ STM. With AFM, the results show that the platelet crystals are hexagonal in shape and the hexagonal platelet crystals form steps perpendicular to the growth direction by side-by-side stacking along the (0001)η surface. The mechanism of morphological change is discussed in details. It is proposed that these steps grow laterally as a result of the embedment of zinc ion clusters.

Influence of ultrasonic treatment on formation of primary Al_3Zr in Al-0.4Zr alloy

The effect of ultrasonic treatment on the formation of primary Al3Zr was investigated by applying ultrasound to an Al?0.4Zr alloy.Three temperature ranges were selected,i.e.,830to790°C(above liquidus),790to750°C(cross liquidus)and750to710°C(below liquidus)for ultrasonication.Using the scanning electron microscopy,both the size and morphology of the primary Al3Zr particles were examined.It was found that the size was significantly reduced and the morphology changed from large throwing-star shape to small compact tablet shape.The mechanisms for refinement of primary Al3Zr were discussed.It is suggested that sonocrystallization theory via activation of aluminium oxide particles is responsible for the refinement of primary Al3Zr when ultrasonic melt treatment(UST)is applied within the fully liquid state.The refinement of primary Al3Zr particles when UST is applied in the slurry(growth stage)is due to the sonofragmentation.

Regulation mechanism of catalyst structure on diamond crystal morphology under HPHT process

To elucidate the regulation mechanism of catalyst geometry structure to diamond growth,we establish three catalyst modes with different structures.The simulation results show that with the decrease of the protruding height of the catalyst,the low-temperature region gradually moves toward the center of the catalyst,which causes the distribution characteristics of the temperature and convection field in the catalyst to change.The temperature difference in vertical direction of the catalyst decreases gradually and increases in the horizontal direction,while the catalyst convection velocity has the same variation regularity in the corresponding directions.The variation of temperature difference and convection velocity lead the crystal growth rate in different crystal orientations to change,which directly affects the crystal morphology of the synthetic diamond.The simulation results are consistent with the experimental results,which shows the correctness of the theoretical rational analysis.This work is expected to be able to facilitate the understanding of catalyst structure regulation mechanism on diamond morphology and the providing of an important theoretical basis for the controllable growth of special crystal shape diamond under HPHT process.

The etching of a-plane GaN epilayers grown by metal-organic chemical vapour deposition

Morphology of nonpolar （1120） a-plane GaN epilayers on r-plane （1102） sapphire substrate grown by low-pressure metal-organic vapour deposition was investigated after KOH solution etching. Many micron- and nano-meter columns on the a-plane GaN surface were observed by scanning electron microscopy. An etching mechanism model is proposed to interpret the origin of the peculiar etching morphology. The basal stacking fault in the a-plane GaN plays a very important role in the etching process.