Iron Species Present in Fe/ZSM-5 Catalysts – Influence of the Preparation Method

The Fe species present in Fe/ZSM-5 catalysts prepared by ionic exchange in aqueous solution or in the solid state are investigated. The samples were characterized by XRD, EPR, Mössbauer Spectroscopy (MOS-S) and chemical analysis. XRD showed that the peak intensity decreased with the increase in Fe content in the samples. EPR and MOS-S showed that the Fe atoms in all the activated samples appear as Fe⁺³, independently of the method used in the catalyst preparation. The MOS-S data also showed that Fe/ZSM-5, prepared by ion exchange in the solid state presented lower hematite content and more Fe species in charge-compensation sites, the responsible for the catalytic activity, as confirmed by the behavior in the propane oxidation.     

酞菁钴/铁纳米填充母粒组成的磁流变液性能

采用有机／无机原位（ｉｎ ｓｉｔｕ）复合方法制备得出本菁钴／铁纳米填充母粒，与甲基硅油组成磁流变液（ＭＲＳ）。ＭＲＳ的附加动态剪切应力（△τ）与分散介质浓度、外加磁场强度呈正比例关系；剪切速率对△τ的影响表明磁致流变为链状结构特征；△τ的对温度不敏感；ＭＲＳ对外加磁场有可逆的开／关变化特征，无记忆效应，磁流变响应时间小于０．１ｓ。     

Iron oxide nanoparticles and VOx/Hexadecylamine nanotubes composite

In this work, we present the synthesis and characterization of a hybrid nanocomposite constituted by iron oxide nanoparticles and vanadium oxide/Hexadecylamine (VO_x/Hexa) nanotubes. Transmission Electron Microscopy (TEM) images show small particles (around 20 nm) in contact with the external wall of the multiwall tubes, which consist of alternate layers of VO_x and Hexa. By Energy Dispersive Spectroscopy (EDS), we detected iron ions within the tube walls and we have also established that the nanoparticles are composed of segregated iron oxide. The samples were studied by Electron Paramagnetic Resonances (EPR) and dc-magnetization as a function of the magnetic field. The analysis of the magnetization and EPR data confirms that a fraction of the V atoms are in the V⁴⁺ electronic state and that the nanoparticles exhibit a superparamagnetic behavior. The percentage of V and Fe present in the nanocomposite was determined using Instrumental Neutron Activation Analysis (INAA).     

Iron and molybdenum valences in double-perovskite (Sr,Nd)2FeMoO6: electron-doping effect

Double perovskite, (Sr_1−xNd_x)₂FeMoO₆, was doped with electrons through partial substitution of divalent Sr by trivalent Nd (0≤x≤0.2). The Fe valence and the degree of B-site order were probed by ⁵⁷Fe Mössbauer spectroscopy. Replacing Sr by Nd increased the fraction of Fe and Mo atoms occupying wrong sites, i.e. antisite disorder. It had very little effect on the Fe valence: a small but visible increase in the isomer shift was seen for the mixed-valent Fe^II/III atoms occupying the right site indicating a slight movement towards divalency of these atoms, which was more than counterbalanced by the increase in the fraction of antisite Fe atoms with III valence state. It is therefore argued that the bulk of the electron doping is received by antisite Mo atoms, which - being surrounded by six Mo^V/VI atoms-prefer the lower IV/V valence state. Thus under Nd substitution, the charge-neutrality requirement inflicts a lattice disorder such that low - valent Mo^IV/V can exist.     

Thickness-Dependent Phase Transformations in Implanted Iron

The dependence of iron nitride formation and phase transformations on the thickness of the nitrogen implanted Fe layers is investigated. The iron nitrides formation in N-implanted Fe-layers of various thickness (60–860 nm) implanted with 100 keV N₂ ⁺ ions with doses ranging from 1×10¹⁷ to 4.5×10¹⁷ at. N/cm² is studied by CEMS and supplemented by GXRD. It was found that nitride formation is strongly enhanced in thin Fe films as compared to thicker layers or the bulk samples. A given nitride phase is formed in thin (60, 130 nm) Fe layers at significantly lower N-doses and the transformation of the original Fe layer into iron nitrides is more complete than in the bulk -Fe. It is suggested that high stresses in thin Fe layers, revealed by the GXRD measurements, may enhance nitrides formation.     

Iron oxidation, interfacial expansion, and buckling at the Fe/NiO(001) interface

In order to provide a structural basis for a physical understanding of exchange bias in metal/magnetic-oxide interfaces, we have determined the structure of the Fe/NiO(001) interface by means of x-ray absorption spectroscopy and ab initio density functional theory calculations. A Fe-Ni alloyed phase on top of an interfacial FeO planar layer is formed. The FeO layer exhibits a 7% expanded interlayer distance and a 0.3 A buckling; its presence is predicted to increase the spin magnetic moment of the interface Fe atoms by 0.6 mu(B), compared to the ideally abrupt interface.     

Relativistic Calculations for Be-like Iron

Relativistic configuration interaction calculations for the states of 1s^22s^2, 1s^22s3l （l = s,p,d） and 1s^22p31 （l=s,p,d） configurations of iron are carried out using relativistic configuration interaction （RCI） and multi-configuration Dirac-Fock （MCDF） method in the active interaction approach. In the present calculation, a large-scale configuration expansion was used in describing the target states. These results are extensively compared with other available calculative and experimental and observed values, the corresponding present results are in good agreement with experimental and observed values, and some differences are found with other available calculative values. Because more relativistic effects are considered than before, the present results should be more accurate and reliable.     

Iron transfer between ferritin molecules

When ferritin solutions containing 8–12⁵⁷Fe atoms/molecule are mixed after iron loading, with ferritin containing a small⁵⁶Fe core (⁵⁶Fe-ferritins) or with an equal volume of NaCl solution (controls) and the mixtures are frozen in liquid nitrogen (LN) at specified times, the spectra of the⁵⁶Fe-ferritins show that almost all⁵⁷Fe is attached to large clusters, whereas in the controls all⁵⁷Fe is present as isolated atoma,⁵⁷Fe dimers or small clusters and no large⁵⁷Fe containing clusters are observed. This shows that⁵⁷Fe present as solitary or dimer species in ferritin migrates to ferritin molecules containing larger⁵⁶Fe clusters.     

Coordination and Oxidation States of Iron Incorporated in Mesoporous MCM41

Mesoporous Fe–MCM41 samples (Si/Fe=25) were synthesized and characterized under evacuation and reducing/oxidizing treatments by in situ FTIR and Mössbauer spectroscopies. Both Fe(II) and Fe(III) located in low coordination states in top layers of pore walls exhibit Lewis acidity and may participate in Fe(III) Fe(II) processes at low temperatures (570 K). Furthermore, Fe(III) Fe(II) cycles can be achieved and repeated with participation of the full amount of iron at higher temperatures (670 K). The accompanying formation of oxygen vacancies and restoration of the structure in the reverse process does not result in extended damages; the MCM41 structure retains its stability under the conditions applied.     

Magnetic Anisotropy of Graphene-Coated Ultrathin Iron Layers on a Substrate of Hexagonal Boron Nitride Gr/Fe/h-BN

Physics of the Solid State - The theoretical results of the computer simulation of the magnetic properties of ultrathin iron films on a nonmagnetic substrate of hexagonal boron nitride Gr/Fe/h-BN...     

Heavy Ion Irradiated Ferromagnetic Films: The Cases of Cobalt and Iron

Polycrystalline, e-gun deposited Co, Fe and Co/Fe films, tens of nanometers thick, have been irradiated with Ne, Kr, Xe and/or Fe ions to fluences of up to 5 × 10¹⁶ ions/cm². Changes in the magnetic texture induced by the implanted ions have been measured by means of hyperfine methods, such as Magnetic Orientation Mössbauer Spectroscopy (Fe), and by Magneto-Optical Kerr Effect and Vibrating Sample Magnetometry. In Co and CoFe an hcp → fcc phase transition has been observed under the influence of Xe-ion implantation. For 10¹⁶ Xe-ions/cm², ion beam mixing in the Co/Fe system produces a soft magnetic material with uniaxial anisotropy. The effects have been correlated with changes in the microstructure as determined via X-ray diffraction. The influences of internal and external strain fields, an external magnetic field and pre-magnetization have been studied. A comprehensive understanding of the various effects and underlying physical reasons for the modifications appears to emerge from these investigations.     

Structural,magnetic and electronic properties of single Iron atom at graphene edges

A systemic theoretical study of one iron atom on graphene ribbon edges (Fe/GR) has been carried out by using density functional theory. Thermodynamic stabilities, electronic and magnetic properties of Fe/GR with different edge types and adsorption locations were investigated. According to the Clar's aromatic sextet rule, the formation energies and density of states of Fe atom are found to rely tightly on the ribbon's periodic length. Moreover, Fe atoms on reconstructed zz edges are also stable with low formation energies and semiconducting properties. Finally, the magnetic properties are found sensitive with the structural details, especially the local bond environment. The present theoretical results constitute a useful picture for the deep comprehending on the interface details of the lateral Fe/graphene heterostructures.     

铁(Ⅱ,Ⅲ)对邻苯二甲酸铕(Ⅲ)荧光性能的猝灭研究

在液相中合成了掺杂不同浓度Fe2 ,Fe3 的邻苯二甲酸铕系列配合物,测定了该系列配合物的荧光光谱和红外光谱.实验结果表明,微量Fe2 ,Fe3 的存在对邻苯二甲酸铕荧光产生了猝灭作用.这可能是由于配合物在发光过程中Fe2 捕获了基态的空穴或者Fe3 捕获了激发态的电子所引起的.     

双聚焦扇型磁式高分辨ICP-MS在人体铁稳定同位素示踪研究中的应用

铁营养学研究是解决我国普遍存在的缺铁性贫血的关键环节 ,铁及其同位素比值测定方法是铁营养学研究的基础。人们传统地采用放射性同位素示踪法、中子活化法、热电离质谱法等作为铁营养学研究的辅助手段。该工作使用扇型磁式双聚焦高分辨ICP MS测定食品和粪便样品中铁同位素比值 ,用 30 0 0分辨率以避免40 Ar1 6O ,40 Ar1 4 N对56Fe ,54Fe的干扰 ,以快速多次电扫描方式降低等离子体波动的影响 ,以 5 μg·mL-1Fe标准溶液多次测定 ,统计计算得出54Fe/56Fe ,57Fe/56Fe和58Fe/56Fe等同位素比值测量精度分别为 0 2 3,0 1 4 ,0 2 2 % ,方法准确可靠、简便快速、已应用于铁营养学研究中。     

Ab Initio Study of Iron and Cr/Fe(001)

In the present paper interfacial mixing of a thin chromium overlayer on bcc iron is studied. The calculations are performed in the framework of a pseudo-potential technique using the generalized gradient approximation for the exchange-correlation functional. Although Fe and Cr do not alloy in the bulk system at low temperatures, strong intermixing effects have been observed with Auger spectroscopy, if Cr is epitaxially grown on bcc Fe(001). Besides these structural effects we discuss the magnetic structure of the interface. It can be shown that the results are in good agreement with the experimental findings of Pfandzelter et al. ( Phys. Rev. B , 54 , 4496, 1996), provided we allow for lattice relaxation. Additionally, the structural and magnetic properties of iron investigated by the pseudo-potential method are compared to our former full potential results.     

Comparison of States of Substituted Iron in MCM-41 and MFI Molecular Sieves under Reaction Conditions

Hyperfine Interactions - Redox properties of substituted iron in low-iron content Fe-MFI (Si/Fe≈200) and Fe-MCM-41 (Si/Fe=137) samples were compared by in situ Mössbauer spectroscopy (in...     

On/off spin-crossover phenomenon and control of the transition temperature in assembled Iron(II) complexes

The present study reveals the on/off of spin-crossover (SCO) phenomenon in assembled Fe(II) complexes bridged by bis(pyridyl) type ligand. Whether SCO phenomenon occurs or not in assembled Fe(II) complexes bridged by bis(pyridyl) type ligand is determined by local structure around iron atom. SCO phenomenon occurs when the coordinating pyridines facing to each other across the iron atom are propeller type, while the phenomenon does not occur when they are parallel type or distorted propeller type. DFT calculation explained that, in the shortening of Fe-pyridine bonds when changing from high-spin state to low-spin state, the pyridines of propeller type can approach the iron atom with smaller steric hindrance than those of parallel and distorted propeller type complexes. The local structure is controlled by introducing methyl substituent and introducing π-system, changing SCO phenomenon. And the transition temperature of SCO is also controlled in assembled complexes bridged by 1,2-bis(4-pyridyl)ethane by mixing anionic ligand.     

Iron spin-reorientation transition in NdFeAsO

The low-temperature magnetic structure of NdFeAsO has been revisited using neutron powder diffraction and symmetry analysis using the Sarah representational analysis program. Four magnetic models with one magnetic variable for each of the Nd and Fe sublattices were tested. The best fit was obtained using a model with Fe moments pointing along the c-direction, and Nd moments along the a-direction. This signals a significant interplay between rare-earth and transition metal magnetism, which results in a spin-reorientation of the Fe sublattice upon ordering of the Nd moments. All models that fit the data well, including collinear models with more than one magnetic variable per sublattice, were found to have an Fe moment of 0.5 μ(B) and a Nd moment of 0.9 μ(B), demonstrating that the low-temperature Fe moment is not substantially enhanced compared to the spin-density wave state.     

Structure and magnetic properties of Fe4/Cun (n=2,4) superlattices from first-principles study

The structures and magnetic properties of Fe4/Cun (n=2, 4) superlattices have been investigated by the first-principles pseudopotential plane-wave method based on spin density approximation. Compared with the ideal fcc-Cu bulk structure, for the optimized Fe4/Cu2 model, obvious contraction of interlayer distances occurs on the interior Fe layers, whereas the interlayer distances of Fe layers in Fe4/Cu4 are expanded. The anti-parallel alignment magnetic moment and negative polarization of the interior Fe layer have been found in the Fe4/Cu2 model. This can be explained in terms of the magnetic-volume effect, and the moment of anti-parallel alignment attributes to the contracted interlayer distances between the interior Fe layers. The MR ratio has also been evaluated by means of the two-current model. The MR ratio of the Fe4/Cu2 model (4.89%) is much small than that of the Fe4/Cu4 one (23.65%).     

Formation of the ω Phase in the Titanium—Iron System under Shear Deformation

JETP Letters - The effect of the phase composition on the α/β-Ti(Fe)→ω-Ti(Fe) transformation in the Ti-4 wt % Fe alloy under shear strain with high-pressure torsion (HPT) has...