Electronic and Magnetic Properties of Yttrium-doped Silicon Carbide Nanotubes: Density Functional Theory Investigations

The electronic structure of yttrium-doped Silicon Carbide Nanotubes has been theoretically investigated using first principles density functional theory (DFT). Yttrium atom is bonded strongly on the surface of the nanotube with a binding energy of 2.37 eV and prefers to stay on the hollow site at a distance of around 2.25 angstrom from the tube. The semi-conducting nanotube with chirality (4, 4) becomes half mettalic with a magnetic moment of 1.0 mu(B) due to influence of Y atom on the surface. There is strong hybridization between d orbital of Y with p orbital of Si and C causing a charge transfer from d orbital of the Y atom to the tube. The Fermi level is shifted towards higher energy with finite Density of States for only upspin channel making the system half metallic and magnetic which may have application in spintronic devices.

Air Stable Iron/Iron Carbide Magnetic Nanoparticles Embedded in Amorphous Carbon Globules

We have synthesized Fe/Fe3C magnetic nanoparticles embedded in an amorphous carbon globule by pyrolysing of benzene, ferrocene and hydroboric acid. The diameter of the globules is similar to 1 mu m and that of Fe/Fe3C magnetic nanoparticles is similar to 40 nm. The globules exhibit ferromagnetic like behavior and the magnetization as well as the coercivity is found to increases with decreasing temperature.

Evolution of Texture and Microstructure in Deformed and Annealed Copper-Iron Multilayer

The effect of multiple phases on the evolution of texture during cold rolling and annealing of a copper-iron multilayer, fabricated by accumulative roll bonding, has been studied. The presence of an iron layer affects the deformation texture of the copper layer only at very large strains. On the other hand, a strong effect of copper on iron is observed at both small and large strains. At smaller strains, the larger deformation carried by the copper suppresses the texture development in the iron, whereas, at higher strains, selection of specific orientation relationship at the interface influences the texture of the iron layer. Shear banding and continuous dynamic recrystallization were found to influence the evolution of texture in the copper layer. The influence of large plastic deformation on the recrystallization behavior of copper is demonstrated with the suppression of typical fcc annealing texture components, described as constrained recrystallization. Evolution of typical annealing texture component is suppressed because of the multilayer microstructure. The plane of the interface formed during deformation is determined by a combination of the rolling texture of individual phases, constrained annealing, and the tendency to form a low-energy interface between the two phases during annealing.

Weak-coupling superconductivity in a strongly correlated iron pnictide

Iron-based superconductors have been found to exhibit an intimate interplay of orbital, spin, and lattice degrees of freedom, dramatically affecting their low-energy electronic properties, including superconductivity. Albeit the precise pairing mechanism remains unidentified, several candidate interactions have been suggested to mediate the superconducting pairing, both in the orbital and in the spin channel. Here, we employ optical spectroscopy (OS), angle-resolved photoemission spectroscopy (ARPES), ab initio band-structure, and Eliashberg calculations to show that nearly optimally doped NaFe0.978Co0.022As exhibits some of the strongest orbitally selective electronic correlations in the family of iron pnictides. Unexpectedly, we find that the mass enhancement of itinerant charge carriers in the strongly correlated band is dramatically reduced near the Gamma point and attribute this effect to orbital mixing induced by pronounced spin-orbit coupling. Embracing the true band structure allows us to describe all low-energy electronic properties obtained in our experiments with remarkable consistency and demonstrate that superconductivity in this material is rather weak and mediated by spin fluctuations.

Iron(III) salicylates of dipicolylamine bases showing photo-induced anticancer activity and cytosolic localization

An iron(III) salicylate having a dipicolylamine base (andpa) with a photoactive anthracenyl moiety is prepared, characterized, and studied for its photo-induced anticancer activity and cellular localization in HeLa and MCF-7 cells. Its phenyl analogue is structurally characterized by X-ray crystallography. The complex has a ternary structure in which the dipicolylamine ligand and salicylic acid in dianionic form (sal) display respective tridentate and bidentate mode of coordination in Fe(sal)(phdpa)Cl] (1). Complex Fe(sal)(andpa)Cl] (2) having a pendant anthracenyl moiety shows significant photocytotoxicity in visible light (400-700 nm) giving IC50 values of 8.6 +/- 0.7 and 3.4 +/- 0.9 mu M in HeLa and MCF-7 cells, while being essentially nontoxic in the dark (IC50 > 100 mu M). The complex shows cytosolic localization in the cancer cells. Formation of hydroxyl radicals ((OH)-O-center dot) as the reactive oxygen species is evidenced from the pUC19 DNA photocleavage studies. (C) 2015 Elsevier Ltd. All rights reserved.

The mycobacterial iron-dependent regulator IdeR induces ferritin (bfrB) by alleviating Lsr2 repression

Emerging evidence indicates that precise regulation of iron (Fe) metabolism and maintenance of Fe homeostasis in Mycobacterium tuberculosis (Mtb) are essential for its survival and proliferation in the host. IdeR is a central transcriptional regulator of Mtb genes involved in Fe metabolism. While it is well understood how IdeR functions as a repressor, how it induces transcription of a subset of its targets is still unclear. We investigated the molecular mechanism of IdeR-mediated positive regulation of bfrB, the gene encoding the major Fe-storage protein of Mtb. We found that bfrB induction by Fe required direct interaction of IdeR with a DNA sequence containing four tandem IdeR-binding boxes located upstream of the bfrB promoter. Results of in vivo and in vitro transcription assays identified a direct repressor of bfrB, the histone-like protein Lsr2. IdeR counteracted Lsr2-mediated repression in vitro, suggesting that IdeR induces bfrB transcription by antagonizing the repressor activity of Lsr2. Together, these results elucidate the main mechanism of bfrB positive regulation by IdeR and identify Lsr2 as a new factor contributing to Fe homeostasis in mycobacteria.

Dielectric investigation of high-k yttrium copper titanate thin films

We report on the first dielectric investigation of high-k yttrium copper titanate thin films, which were demonstrated to be very promising for nanoelectronics applications. The dielectric constant of these films is found to vary from 100 down to 24 (at 100 kHz) as a function of deposition conditions, namely oxygen pressure and film thickness. The physical origin of such variation was investigated in the framework of universal dielectric response and Cole-Cole relations and by means of voltage dependence studies of the dielectric constant. Surface-related effects and charge hopping polarization processes, strictly dependent on the film microstructure, are suggested to be mainly responsible for the observed dielectric response. In particular, the bulky behaviour of thick films deposited at lower oxygen pressure evolves towards a more complex and electrically heterogeneous structure when either the thickness decreases down to 50 nm or the films are grown under high oxygen pressure.

Dielectric investigation of high-k yttrium copper titanate thin films

We report on the first dielectric investigation of high-k yttrium copper titanate thin films, which were demonstrated to be very promising for nanoelectronics applications. The dielectric constant of these films is found to vary from 100 down to 24 (at 100 kHz) as a function of deposition conditions, namely oxygen pressure and film thickness. The physical origin of such variation was investigated in the framework of universal dielectric response and Cole-Cole relations and by means of voltage dependence studies of the dielectric constant. Surface-related effects and charge hopping polarization processes, strictly dependent on the film microstructure, are suggested to be mainly responsible for the observed dielectric response. In particular, the bulky behaviour of thick films deposited at lower oxygen pressure evolves towards a more complex and electrically heterogeneous structure when either the thickness decreases down to 50 nm or the films are grown under high oxygen pressure.

Pursuit of Sustainable Iron-Based Sodium Battery Cathodes: Two Case Studies

Rechargeable batteries have been the torchbearer electrochemical energy storage devices empowering small-scale electronic gadgets to large-scale grid storage. Complementing the lithium-ion technology, sodium-ion batteries have emerged as viable economic alternatives in applications unrestricted by volume/weight. What is the best performance limit for new-age Na-ion batteries? This mission has unravelled suites of oxides and polyanionic positive insertion (cathode) compounds in the quest to realize high energy density. Economically and ecologically, iron-based cathodes are ideal for mass-scale dissemination of sodium batteries. This Perspective captures the progress of Fe-containing earth-abundant sodium battery cathodes with two best examples: (i) an oxide system delivering the highest capacity (similar to 200 mA h/g) and (ii) a polyanionic system showing the highest redox potential (3.8 V). Both develop very high energy density with commercial promise for large-scale applications. Here, the structural and electrochemical properties of these two cathodes are compared and contrasted to describe two alternate strategies to achieve the same goal, i.e., improved energy density in Fe-based sodium battery cathodes.

Mitochondria-Targeting Iron(III) Catecholates for Photoactivated Anticancer Activity under Red Light

Iron(III) catecholates Fe(R-bpa)(R-dopa)Cl] (1, 2) with a triphenylphosphonium (TPP) moiety, where R-bpa is 2-(TPP-N,N-bis((pyridin-2-yl)methyl)ethanamine) chloride (TPPbpa) and R-dopa is 4-{2-(anthracen-9-yl)methylamino]ethyl}benzene-1,2-diol (andopa, 1) or 4-{2-(pyren-1-yl)-methylamino]ethyl}benzene-1,2-diol (pydopa, 2), were synthesized and their photocytotoxicity studied. Complexes 3 and 4 with phenyl-N,N-bis(pyridin-2-yl)methyl]methanamine (phbpa) were used as controls. The catecholate complexes showed an absorption band near 720 nm. The 5e(-) paramagnetic complexes showed a Fe-III/Fe-II irreversible response near -0.45 V and a quasi-reversible catechol/semiquinone couple near 0.5 V versus saturated calomel electrode (SCE) in DMF/0.1 M tetrabutylammonium perchlorate. They showed photocytotoxicity in red/visible light in HeLa, HaCaT, MCF-7, and A549 cells. Complexes 1 and 2 displayed mitochondrial localization, reactive oxygen species (ROS) generation under red light, and apoptotic cell death. Control complexes 3 and 4 exhibited uniform distribution throughout the cell. The complexes showed DNA photocleavage under red light (785 nm), forming hydroxyl radicals as the ROS.

Microstructural features of an iron-based laser coating

A high toughness wear resistant coating is produced by laser clad Fe-Cr-W-Ni-C alloys. The microstructural and compositional features of the laser-solidified microstructures and phase evolutions occurring during high temperature tempering at 963 K were investigated by using analytical electron microscopy with energy dispersive X-ray analysis. The clad coating possesses the hypereutectic microstructure consisted of M7C3 + (Y + M7C3) Du ring high temperature aging, the precipitation of M23C6 and M2C in austenite and in situ transformation of dendritic M7C3 to M23C6 and eutectic M7C3 to M6C occurred. The laser clad coating reveals an evident secondary hardening and superior impact wear resistance.

Feasibility of Laminar Plasma-Jet Hardening of Cast Iron Surface

Nontransferred DC laminar plasma jets of stable flow and low impinging pressure acting on the substrate were used to heat W–Mo–Cu cast iron for phase transfer hardening of the surface layer. Substrates were heated in multipass with or without overlapping or heated with only single-pass. Surface morphologies of the molten trace and microstructure of the cross-section were observed, and the hardness distribution of the treated surface layer was examined. The surface layer of single-pass-heated specimen has an average hardness of about 900 HV0.1, while the specimen treated with multipass shows an average hardness of about 700 HV0.1, because of the heat effect from the neighboring pass treating, compared with the substrate hardness of about 300 HV0.1. The results demonstrate the stable and favorably controlled heating of the laminar plasma jet on the substrate surface and feasibility of using it as a tool for surface hardening of cast iron.

Metallographic Analysis of Cu-Zr-Al Bulk Amorphous Alloys with Yttrium Addition

Minor yttrium addition can improve the glass-forming ability of Cu-Zr-Al ternary alloys via suppression of the growth of eutectic clusters. Yttrium addition also makes the room temperature ductility of the alloys decrease, and both the compressive strength and elastic strain limits increase slightly.