铁锰硅对凤眼莲生物质结构的影响

分析了Fe,Mn,Si元素培养条件下凤眼莲(Eichhornia crassipes)秸秆不同部位的Fe,Mn,Si元素含量、吸附位点数以及重要官能团组成.结果表明,Mn和Si能提升生物质的酸性位点数,Mn的作用尤其明显,而铁降低生物质的酸性位点数;在铁、锰及其组合处理后,风眼莲秸秆三个部位的酸性位点数顺序为根>茎>叶...     

Symmetric versus nonsymmetric structure of the phosphorus vacancy on InP(110)

The atomic and electronic structure of positively charged P vacancies on InP(110) surfaces is determined by combining scanning tunneling microscopy, photoelectron spectroscopy, and density-functional theory calculations. The vacancy exhibits a nonsymmetric rebonded atomic configuration with a charge transfer level 0.75+/-0.1 eV above the valence band maximum. The scanning tunneling microscopy (STM) images show only a time average of two degenerate geometries, due to a thermal flip motion between the mirror configurations. This leads to an apparently symmetric STM image, although the ground state atomic structure is nonsymmetric.     

Electronic structure and reactivity of ultra-thin Fe films on a Rh(100) surface

The electronic structure and reactivity of ultra-thin Fe films on a Rh(100) surface have been investigated by angle-resolved ultraviolet photoelectron spectroscopy (ARUPS) and thermal desorption spectroscopy (TDS). The dispersion of d-bands of a clean Rh surface is consistent with the projection of the bulk band structure. One monolayer of Fe film shows a systematic shift of d-bands toward large binding energy by 0.4 eV and a large reduction in the density of states just below the Fermi level, in particular, around the M point. In accordance with the decrease in the density of states at the Fermi level, the bonding energy of hydrogen is greatly reduced to 245 kJ/mol on a 1 ML (ML = monolayer) Fe film, although the sticking coefficient is still in the range of 0.1–0.3. The successive increase in activation energy for the desorption of hydrogen with the increase of Fe film thickness from 1 to 3 ML is associated with a recovery of the density of states at the Fermi level.     

Effect of ultrasonic treatment on the structure and functional properties of mantle proteins from scallops (Patinopecten yessoensis)

In this study, scallop mantle protein was treated by ultrasound at different powers, and then analyzed by ANS fluorescent probes, circular dichroism spectroscopy, endogenous fluorescence spectrum, DNTB colorimetry and in-vitro digestion model to elucidate the structure–function relationship. The results indicated that ultrasound can significantly affect the secondary structure of scallop mantle protein like enhancing hydrophobicity, lowering the particle size, increasing the relative contents of α-helix and decreasing contents of β-pleated sheet, β-turn and random coil, as well as altering intrinsic fluorescence intensity with blue shift of maximum fluorescence peak. But ultrasound had no effect on its primary structure. Moreover, the functions of scallop mantle protein were regulated by modifying its structures by ultrasound. Specifically, the protein had the highest performance in foaming property and in-vitro digestibility under ultrasonic power of 100 W, oil binding capacity under 100 W, water binding capacity under 300 W, solubility and emulsification capacity under 400 W, and emulsion stability under 600 W. These results prove ultrasonic treatment has the potential to effectively improve functional properties and quality of scallop mantle protein, benefiting in comprehensive utilization of scallop mantles.     

The (100) surfaces of chromium and vanadium: Reconsiderations of their structure and reactivity

The structural properties of clean Cr(100) and V(100) surfaces have been examined by LEED, AES, Δφ and photoelectron spectroscopy with particular reference to the question of possible reconstruction. When clean, both surfaces exhibit (1 × 1) periodicity at 300 K. The c(2 × 2) phase on Cr(100) is associated with small amounts of adsorbed carbon and oxygen, and the (5 × 1) phase on V(100) is induced by subsurface oxygen. The nature of the V(100)?(5 × 1) surface was examined in detail by studying oxygen and bromine chemisorption on the (1 × 1) and (5 × 1) surfaces respectively. The surface → bulk transport of oxygen and the low pressure oxidation of V are characterised; a convenient spectroscopic method for detecting low levels of oxygen in vanadium is described. Electronic and structural aspects of the vanadium-bromine interaction are elucidated.     

Precision measurement of the three 2(3)P(J) helium fine structure intervals

The three 2(3)P fine structure intervals of 4H are measured at an improved accuracy that is sufficient to test two-electron QED theory and to determine the fine structure constant alpha to 14 parts in 10(9). The more accurate determination of alpha, to a precision higher than attained with the quantum Hall and Josephson effects, awaits the reconciliation of two inconsistent theoretical calculations now being compared term by term. A low pressure helium discharge presents experimental uncertainties quite different than for earlier measurements and allows direct measurements of light pressure shifts.     

Growth mechanism of carbon nanotubes produced by pyrolysis of a composite film of poly (vinyl alcohol) and fly ash

We produced carbon nanotubes (CNTs) by pyrolysis of a composite film of poly (vinyl alcohol) (PVA) with fly ash (FA) at 500°C for 10 min under nitrogen. The composite films were prepared by a suspension of PVA and FA in deionized water and cast onto glass petri dishes. The morphologies of the CNTs were observed in the images of scanning and transmission electron microscopy, showing different types of structures, e.g. whiskers, branches, ropes and graphene sheets. The widths of the CNTs measured varied in the range 18–80 nm. X-ray photoelectron spectroscopy analysis showed five types of carbon binding peaks, C–C/C–H (∼77%), C–O–H (∼9%), –C–O–C (∼5%), C=O (∼5%) and –O–C=O (∼3%). From an image of a broken CNT, a mechanism was proposed for the formation of CNTs. The CNTs grown on FA surfaces have potential for the fabrication of high-strength composite materials with polymer and metal.     

Effect of Coulomb correlations on the electronic structure of PuCoGa(5)

We investigate the effect of strong Coulomb correlations on the electronic structure of the Pu-based superconductor PuCoGa5 by employing the relativistic local spin density approximation+ Hubbard U (LSDA+U) method. The inclusion of intra-atomic Coulomb U and exchange J parameters leads to a significant reconstruction of the f states electronic structure over that given by the LSDA approach. At variance with the LSDA, the LSDA+U suggests "jj"-like coupling for the Pu 5f manifold.     

Studies on ethylene adsorption on Ni,Pd and Pt films and the reactivity of the selected forms of the adsorbate with hydrogen

A rapidly-recording, static-capacitor method was used to study surface potential changes that occur during ethylene adsorption on Ni, Pd, and Pt films at 298 K. A precise dosing system for the introduction of gases and a careful determination of the roughness factor allowed us to relate the surface potential to the concentration of the various adsorbed species. Using this information we propose a mechanism for ethylene selfhydrogenation. Ethylene admolecules adsorbed in the second layer react readily with hydrogen whereas those from the first layer do not. On platinum films, only the electropositively-polarised β⁺ hydrogen adatoms are reactive with ethylene, but with Ni and Pd films only the electronegatively-polarised β^? hydrogen adatoms are reactive.     

弗里曼源产生N_(10)~ 团簇的研究

介绍热阴极弧放电弗里曼源产生N 10 团簇的新结果。研究了N 10 团簇的产生与氮的气体流量、辅助磁场强度、弧电压、弧放电功率等离子源参数之间的关系 ,初步揭示出可能存在一种新的团簇形成机制。这种机制有别于通常的绝热膨胀冷凝团聚机制。     

The interplay between geometry,electronic structure,and reactivity of Cu-Ni bimetallic (111) surfaces

The mutual influence of surface geometry (e.g. lattice parameters, morphology) and electronic structure is discussed for Cu-Ni bimetallic (111) surfaces. It is found that on flat surfaces the electronic d-states of the adlayer experience very little influence from the substrate electronic structure which is due to their large separation in binding energies and the close match of Cu and Ni lattice constants. Using carbon monoxide and benzene as probe molecules, it is found that in most cases the reactivity of Cu or Ni adlayers is very similar to the corresponding (111) single crystal surfaces. Exceptions are the adsorption of CO on submonolayers of Cu on Ni(111) and the dissociation of benzene on Ni/Cu(111) which is very different from Ni(111). These differences are related to geometric factors influencing the adsorption on these surfaces. Received: 26 August 2002 / Accepted: 4 September 2002 / Published online: 5 February 2003 RID="*" ID="*"Corresponding author. Fax: +44-1223/76-2829, E-mail: gh10009@cam.ac.uk [+1pt] Present address: University of Cambridge, Lensfield Road, Department of Chemistry, Cambridge CB2 1EW, UK     

Optical diagnostics on the reactivity controlled compression ignition (RCCI) with micro direct-injection strategy

Micro direct-injection (DI) strategy is often used to extend the operation range of the reactivity controlled compression ignition (RCCI) to high engine load, but its combustion process has not been well understood. In this study, the ignition and flame development of the micro-DI RCCI strategy were investigated on a light-duty optical engine using formaldehyde planar laser-induced fluorescence (PLIF) and high-speed natural flame luminosity imaging techniques. The premixed fuel was iso-octane and an oxygenated fuel of polyoxymethylene dimethyl ethers (PODE) was employed for DI. The fuel-air equivalence ratio of DI was kept at 0.09 and the premixed equivalence ratio was varied from 0 to 1. RCCI strategies with early and late DI timing at –25° and –5° crank angle after top dead center were studied, respectively. Results indicate that the early micro-DI RCCI features a single-stage high-temperature heat release (HTHR). The combustion in the low-reactivity region shows a combination of flame front propagation and auto-ignition. The late micro-DI RCCI presents a two-stage HTHR. The second-stage HTHR is owing to the combustion in the low-reactivity region that is dominated by flame front propagation when the premixed equivalence ratio approaches 1. For both early and late micro-DI RCCI, the intermediate-temperature heat release (ITHR) of iso-octane, indicated by formaldehyde, takes place in the low-reactivity region before the arrival of the flame front. This is quite different from the flame front propagation in spark-ignition (SI) engine that shows no ITHR in the unburned region. The DI fuel mass is a key factor that affects the combustion in the low-reactivity region. If the DI fuel mass is quite low, there is more possibility of flame front propagation; otherwise, sequential auto-ignition dominates. The emergence of the flame front propagation in micro-DI RCCI strategy reduces its combustion rate and peak pressure rise rate.     

ARPES studies of the electronic structure of LaOFe(P, As)

We report a comparison study of LaOFeP and LaOFeAs, two parent compounds of recently discovered iron-pnictide superconductors, using angle-resolved photoemission spectroscopy. Both systems exhibit some common features that are very different from well-studied cuprates. In addition, important differences have also been observed between these two ferrooxypnictides. For LaOFeP, quantitative agreement can be found between our photoemission data and the LDA band structure calculations, suggesting that a weak coupling approach based on an itinerant ground state may be more appropriate for understanding this new superconducting compound. In contrast, the agreement between LDA calculations and experiments in LaOFeAs is relatively poor, as highlighted by the unexpected Fermi surface topology around (π, π). Further investigations are required for a comprehensive understanding of the electronic structure of LaOFeAs and related compounds.     

Influence of the geometric structure on the V L3 near edge X-ray absorption fine structure from vanadium phosphorus oxide catalysts

We present the V L₃ near edge X-ray absorption fine structure (NEXAFS) of a vanadium phosphorus oxide (VPO) catalyst. The spectrum is related to the V3d–O2p hybridised unoccupied states. The overall peak position at the V L₃-absorption edge is determined by the formal oxidation state of the absorbing vanadium atom. Details of the absorption fine structure are influenced by the geometric structure of the compound. Empirically we found a linear relationship between the energy position of several absorption resonances and the V–O bond length of the participating atoms. This allows identification of the contribution of specific V–O bonds to the near edge X-ray absorption fine structure. The bond length/resonance position relationship will be discussed under consideration of relations between geometric structure and NEXAFS features observed in X-ray absorption experiments and theory.     

Effect of the degree of crosslinking on the interfacial layer structure of poly(vinyl chloride) dispersed with crosslinked poly(n-butyl methacrylate) particles

The interfacial layer structure of a model incompatible polymer blend system was analyzed using ¹H pulse nuclear magnetic resonance (pulse NMR) spectroscopy. Non-crosslinked and crosslinked poly(n-butyl methacrylate) particles with a mean size of ca. 0.9 μm were prepared by seeded emulsion polymerization, and the degree of crosslinking was varied. The particles were powdered using a freeze-dry method and dispersed in poly(vinyl chloride) by melt blending. Dynamic mechanical analysis indicated that the non-crosslinked particles were completely compatible. In contrast, mutual diffusion of the polymer chains in the crosslinked particles was restricted within the particle/matrix interfacial layer. As a result, an incompatible phase structure in which the crosslinked particles were dispersed in the continuous phase was formed. Pulse NMR analysis indicated that the interfacial layer thickness was in the range of 17–98 nm. The thickness decreased with an increase in the degree of crosslinking in the particles. The interfacial layer thickness in the particles was approximately 10 times larger than that for the incompatible polymer pair. Tensile test results indicated that the elongation at break was dependent on the thickness of the interfacial layer. The yield stress was developed for the particles with high hardness that was independent of the interfacial thickness.     

Scavenging of OH(*) radicals produced from H(2)O sonolysis with nitrate ions

The scavenging of OH(?) radicals formed during H(2)O sonolysis with nitrate-ions was studied in HNO(3)/NaNO(3) mixture at the constant NO(3)(-) ions concentration ([HNO(3)]+[NaNO(3)])=1 M in Ar atmosphere. Small amounts of N(2)H(5)NO(3) was added to solutions to avoid HNO(2) accumulation due to HNO(3) sonolysis. It was shown that the increase of [H(+)] causes the increase of H(2)O(2) formation rate (W(H(2)O(2)). (W(H(2)O(2)) values reach the plateau at [HNO(3)] approximately 1 M. The (W(H(2)O(2)) ratio in solution with [H(+)]=1 M and pure water was found to be equal to 2.4+/-0.4. It was assumed that (W(H(2)O(2)) increase in nitric acid medium is related to the changing of H(2)O(2) formation mechanism. In pure water H(2)O(2) is formed due to the OH(*) radicals recombination. In HNO(3)+NaNO(3) mixture the mechanism of H(2)O(2) formation consists in conversion of OH(*) radicals to NO(3)(*) radicals followed by NO(3)(*) radicals hydrolysis. Results obtained show that OH(*) radicals recombination mainly occurs in the liquid phase surrounding the cavitating bubble.     

Effect of misfit strain on the electrocaloric effect of P(VDF-TrFE) copolymer thin films

Based on the phenomenological Landau-Devonshire theory, we investigate the effect of misfit strain on the electrocaloric effect of P(VDF-TrFE) copolymer thin films. Theoretical analysis indicates that the compressive misfit strain reduces the working temperature to a great extent where the electrocaloric effect is maximized, which is different from the result of the conventional ferroelectric thin films, such as BaTiO₃. Although the compressive or tensile misfit strain does not change the maximum of the electrocaloric coefficient, the compressive misfit strain decreases the maximum of the adiabatic temperature change and the tensile misfit strain results in the opposite effect. Consequently, control of the misfit strain provides potential means to vary the working temperature for use in cooling systems.