Study on the Atomization Mechanism of Hydrides in Graphite Furnace Atomizers

The influence of the surface state of the graphite furnace atomizer on the atomization of hydrides has been studied by means of surface film coating and quantum chemistry CN-DO/2 calculations. The results of the study prove that the atomization of AsH3, SbH3 and BiH3 in the graphite furnace atomizer is not a simple gas phase pyrolytic process, but a surface catalysis pyrolytic process.

Dehydration Mechanism of Secondary Cross-linked Gels

In this paper, microscopic characteristics of preformed gels （PGs） and secondary cross-linked gels （SCG） with the same concentration were analyzed by atomic force microscopy （AFM）. Experimental results indicate that the microstructure of secondary cross-linked gels is a thick 3-D network, in which micro-holes and irregular macro-holes are embedded. The maximum width of the irregular macro-holes is 200 nm. In the SCG two different chemical bonds were formed, which leads to the structural inhomogeneity and the asymmetry of the crosslinking density. The structural inhomogeneity of SCG results in the formation of irregular macro-holes. The excessive cross-linking density is the primary reason for dehydration of SCG and the presence of irregular macro-holes in SCG can facilitate dehydration.

Hydrogen Abstraction Reaction Mechanisms and Rate Constants for Isoflurane with a Cl Atom at 200～2000 K:A Theoretical Investigation

The kinetics and mechanisms of H abstraction reaction between isoflurane and a CI atom have been investigated using DFT and G3（MP2） methods of theory. The geometrical structures of all species were optimized by the wB97XD/6-311＋＋G＊＊ method. Intrinsic reaction coordinate （IRC） analysis has been carried out for the reaction channels. Thermochemistry data have been obtained by utilizing the high accurate model chemistry method G3（MP2） combined with the standard statistical thermodynamic calculations. Gibbs free energies were used for reaction channels analysis. Two channels were obtained, which correspond to P（1） and P（2）. The rate constants for the two channels over a wide temperature range of 200-2000 K were also obtained. The results show that the barriers of P（1） and P（2） reaction channels are 50.36 and 50.34 kJ/mol, respectively, predicting that it exists two competitive channels. The calculated rate constant is in good agreement with the experiment value. Additionally, the results also show that the rate constants also increase from 1.85x10^-16 to 2.16x 10^12 cm3.moleculel.s-1 from 200 to 2000 K

Effect of heating time on bonding interface, atom diffusion and mechanical properties of dissimilar titanium joints produced by thermal self-compressing bonding

Solid-state bonding between pure titanium and Ti6Al4V(TC4)alloy was conducted by a new bonding method named as rigid restraint thermal self-compressing bonding.Effects of heating time on bonding interface,atom diffusion and mechanical properties of the joints were studied.Results show that atom diffusion between pure titanium and TC4 alloy significantly takes place during bonding.The diffusion depths of Al and V in pure titanium side are increased with increasing heating time.Due to the enhancement of atom diffusion,bond quality of the bonding interface is improved along with the increase of heating time.The heating time seems to have little effect on microhardness distribution across the joint.However,the tensile strength and ductility of the joint have close relation to heating time.Prolonging heating time can improve the tensile strength and ductility of the joint,especially the latter.When the heating time increases to 450 s,solid-state joint with good combination of strength and ductility is attained.

The Erosion Effect of Kapton Film in a Ground-based Atomic Oxygen Irradiation Simulator

In order to investigate the effect of space environmental factors on spacecraft materials, a ground-based simulation facility for space atomic oxygen（AO） irradiation was developed in our laboratory. Some Kapton film samples were subjected to AO beam generated by this facility. The Kapton films before and after AO exposure were analyzed comparatively using optical microscopy, scanning electronic microscopy, atomic force microscopy, high-precision microbalance, and X-ray photoelectron spectroscopy. The experimental results indicate that the transmittance of Kapton film will be reduced by AO irradiation notably, and its color deepens from pale yellow to brown. Surface roughness of the AO-treated sample is already increased obviously after AO irradiation for 5 hours, and exhibits a flannel-like appearance after 15 hours’ exposure in AO beam. The imide rings and benzene rings in kapton molecule are partially decomposed, and some new bonds form during AO irradiation. The mass loss of kapton film increases linearly with the increase of AO fluence, which is resulted from the formation of volatile products, such as CO, CO2 and NOx. The breakage in structure and degradation in properties of AO-treated Kapton film can be attributed to the integrated effect ofimpaction and oxidization of AO beam. The test results agree well with the space flight experimental data.

ATOMIC FORCE MICROSCOPY OBSERVATION OF MAGNETRON SPUTTERED ALUMINUM－SILICON ALLOY FILMS

wo different surface morphology characteristics of magnetron sputtered aluminumsilicon(Al-Si)alloy films deposited at 0 and 200℃ were observed by atomic force microscopy(AFM).One is irregularly shaped grains put togther on a plane.The other is irregularly shaped grains Piled up in space. Nanometer-sized particles with heights from 1.6 to 2.9 nm were first observed. On the basis of these observations the growth mechanism of magnetron sputtered films is discussed.

Control of a Cloud of Laser-Cooled ^40Ca^＋ in a Linear Ion Trap

A cloud of laser-cooled ^40Ca^＋ is successfully trapped and manipulated under well control in our home-built linear ion trap, which is designed and constructed solely for studying quantum information processing. By exploring the variation of the ion cloud with respect to the trap parameters, we have optimized the trapping condition and obtained very good fluorescence spectra. We observe the dynamics of the ion cloud, and estimate the temperature of the ion cloud to be of the order of milli-Kelvin.

Properties of the UCHII region G25.4NW and its associated molecular cloud

Ultra compact HII （UCHII） G25.4NW is a bright IR source in the region of the inner Galaxy. New HI images from the Very Large Array Galactic Plane Survey show clear absorption features associated with the UCHII region up to 95 km s^-1, and there are no other absorptions up to the tangential velocity. This reveals that G25.4NW has a near-side distance of 5.7 kpc, and it is located in the region of the inner Galactic molecular ring. Using the new distance, the bolometric luminosity of G25.4NW is estimated as 105.6 L⊙, which corresponds to an 06 star. It contains 460 M⊙ of ionized gas. A high-resolution ^13CO image from the Galactic Ring Survey reveals that G25.4NW is part of a more extended star-forming complex with about 104 M⊙ of molecular gas.

Mechanism of boron atomization in graphite furnace atomic absorption spectroscopy

The mechanism of the atomization of boron and the enhancement of sensitivity by matrix modifier Sr(NO_3)_2 in graphite furnace AAS were discussed.X-ray diffraction and thermodynamic calculation were applied to study the mechanism of boron atomization with and without matrix mo- difier Sr(NO_3)_2.The formation of boron atom is due to the sublimation of solid boron which derived from the reduction of B_2O_3 by carbon.The enhancement of boron signal in the presence of Sr(NO_3)_2 is due to the formation of SrB_6 before atomization,which decreased the volatization losses of B_2O_3 and retarded the formation of B_4C.

Advanced carbon nitride-based single-atomphotocatalysts

Single-atom catalysts(SACs)have rapidly become a hot topic in photocatalytic research due to their unique physical and chemical properties,high activity,and high selectivity.Among many semiconductor carriers,the special structure of carbon nitride(C3N4)perfectly meets the substrate requirements for stabi-lizing SACs;they can also compensate for the photocatalytic defects of C3N4 materials by modifying energy bands and electronic structures.Therefore,devel-oping advanced C3N4-based SACs is of great significance.In this review,we focus on elucidating efficient preparation strategies and the burgeoning photo-catalytic applications of C3N4-based SACs.We also outline prospective strategies for enhancing the performance of SACs and C3N4-based SACs in the future.A comprehensive array of methodologies is presented for identifying and char-acterizing C3N4-based SACs.This includes an exploration of potential atomic catalytic mechanisms through the simulation and regulation of atomic catalytic behaviors and the synergistic effects of single or multiple sites.Subsequently,a forward-looking perspective is adopted to contemplate the future prospects and challenges associated with C3N4-based SACs.This encompasses considerations,such as atomic loading,regulatory design,and the integration of machine learn-ing techniques.It is anticipated that this review will stimulate novel insights into the synthesis of high-load and durable SACs,thereby providing theoretical groundwork for scalable and controllable applications in the field.

Mechanism and rate constants for complete series reactions of 19 fluorophenols with atomic H

Fluorine-containing halogenated fluorophenol may have effect as intermediate species involved in the formation of polyfluorinated dibenzo-p-dioxin/dibenzofurans （PFDDs/Fs）. The mechanism for the atomic H initiated reactions with complete series of nineteen fluorophenol congeners was studies using the density functional theory. At the MPWB1K,/6-31＋G（d,p） level, the geometries and frequencies of reactants, transition states, and products were obtained, and the accurate energetic values were acquired at the MPWB 1K/6-311 ＋G（3df,2p） level. The rate constants were evaluated by the canonical variational transition-state theory with the small curvature tunneling contribution over a wide temperature range of 600-1000 K. The study shows that the intramolecular hydrogen-bond in the ortho-substituted FPs as well as the inductive effect of the electron-withdrawing fluorine and steric repulsion of multiple substitutions may ultimately be responsible for the relative strength of the O-H bonds in FPs. The results can be used for further studies on PFDD/Fs formation mechanism.

Atomic force microscopy studies on cellular elastic and viscoelastic properties

In this work, a method based on atomic force microscopy (AFM) approach-reside-retract experiments was established to simultaneously quantify the elastic and viscoelastic properties of single cells. First, the elastic and viscoelastic properties of normal breast cells and cancerous breast cells were measured, showing significant differences in Young’s modulus and relaxation times between normal and cancerous breast cells. Remarkable differences in cellular topography between normal and cancerous breast cells were also revealed by AFM imaging. Next, the elastic and viscoelasitc properties of three other types of cell lines and primary normal B lymphocytes were measured; results demonstrated the potential of cellular viscoelastic properties in complementing cellular Young’s modulus for discerning different states of cells. This research provides a novel way to quantify the mechanical properties of cells by AFM, which allows investigation of the biomechanical behaviors of single cells from multiple aspects.

Theoretical Study of the Radical Scavenging Activity of Shikonin and Its Derivatives

A series of shikonin derivatives have been designed and their radical scavenging activity has been characterized by the B3LYP/6-31 ＋G（d） approach. The hydrogen bond properties of the studied structures were investigated using the atoms in molecules （AIM） theory. The calculated results reveal that the hydrogen bond is important for good scavenging activity. The introduction of electron-drawing （electron-donating） groups increases （decreases） the scavenging activities of radical and radical cations of shikonin derivatives. Shikonin derivatives appear to be good candidates for the single-electron-transfer mechanism, particularly for -N（CH3）2 derivative. Taking this system as an example, we present an efficient method for the investigation of radical scavenging activity from theoretical point of view. With the current work, we hope to highlight the radical scavenging activity of hydroxynaphtho- quinones derivatives and stimulate the interest for further studies and exploitation in pharmaceutical industry.