Materials Literature
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Using angle-resolved photoemission spectroscopy, we study the evolution of the number of carriers in Ba(Fe(1-x)Co(x))(2)As(2) as a function of Co content and temperature. We show that there is a k-dependent energy shift compared to density functional calculations, which is large below 100 K at low Co contents and redu…
New quaternary alkali-metal gallium selenites, AGa(SeO3)2 (A = Li, Na, K, and Cs), have been synthesized through hydrothermal reactions. Single-crystal X-ray diffraction has been used to determine the structures of the reported materials. The stoichiometrically equivalent materials crystallize in three-dimensional fra…
We use high-resolution synchrotron x-ray diffraction to uncover a second, low-temperature, charge density wave (CDW) in TbTe${}_{3}$. Its ${T}_{c}$${}_{2}=41.0\ifmmode\pm\else\textpm\fi{}0.4$ K is the lowest discovered so far in the rare earth telluride series. The CDW wave vectors of the high temperature and low temp…
In an effort to study an alternative approach to make graphene from graphene oxide (GO), exposure of GO to high-energy X-ray radiation has been performed. X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), and atomic force microscopy (AFM) have been used to characterize GO before and after irradiation. R…
Tungsten trioxide (WO${}_{3}$) is an Earth abundant material of potential use as a light absorber for solar energy conversion processes. We carried out ab initio calculations of the band structure and absorption spectrum of WO${}_{3}$ using many-body perturbation theory and we present a detailed comparison of our resu…
When spins are injected through graphene layers from a transition metal ferromagnet, high spin polarization can be achieved. When detected by another ferromagnet, the spin-polarized current makes high- and low-resistance states in a ferromagnet/graphene/ferromagnet junction. Here, we report manifest spin valve effects…
The solubility of single-walled carbon nanotube (SWCNT) polyelectrolytes [K(THF)]nSWCNT in dimethyl sulfoxide (DMSO) was determined by a combination of centrifugation, UV-vis spectral properties, and solution extraction. The SWCNT formed a liquid crystal at a concentration above 3.8 mg/mL. Also, crown ether 18-crown-6…
A wide range of alloys have been considered as candidate container materials for the storage and disposal of nuclear waste. The goal of the majority of national nuclear waste management programs is the ultimate disposal of the waste, although, depending upon the strategy being followed, disposal may come only after an…
The alloying effect on the lattice parameters, isostructural mixing enthalpies and ductility of the ternary nitride systems Cr1-xTMxN (TM=Sc, Y; Ti, Zr, Hf; V, Nb, Ta; Mo, W) in the cubic B1 structure has been investigated using first-principles calculations. Maximum mixing enthalpy due to large lattice mismatch in Cr…
Spin pumping enables the vertical transport of pure spin current through Al in a Pd/Al/Ni80Fe20(Py) trilayer film, in which the Py acts as a spin battery. The spin current injected into the Al flows through the Al to reach the Pd, resulting in the generation of electromotive forces due to the inverse spin Hall effect…
1. Introduction - The Carbon Age 2. Theoretical Framework 3. Experimental techniques for the Study of Ultrafast Nonequilibrium Carrier Dynamics in Graphene Part One: Electronic Properties - Carrier Relaxation Dynamics 4. Relaxation dynamics in graphene 5. Carrier Dynamics in Carbon Nanotubes Part Two: Optical Properti…
The electronic states of isostructural single-component molecular conductors [M(tmdt)2] (M= Ni, Au, and Cu) are theoretically studied. By considering fragments of molecular orbitals as basis functions, we construct a multiorbital model common for the three materials. The tight-binding parameters are estimated from res…
An amorphous Ti50Ni25Cu25 alloy was produced by 19 h of mechanical alloying. Anomalous wide angle x-ray scattering data were collected at six energies and six total scattering factors were obtained. By considering the data collected at two energies close to the Ni and Cu K edges, two differential anomalous scattering…
We present a theoretical study of the ionization potential in small anionic gold clusters, using density functional theory, with and without exact-exchange, and many body perturbation theory, namely the G0W0 approach. We find that G0W0 is the best approach and correctly describes the first ionization potential with an…
Classical theories of chemical kinetics assume independent reactions in dilute solutions, whose rates are determined by mean concentrations. In condensed matter, strong interactions alter chemical activities and create inhomogeneities that can dramatically affect the reaction rate. The extreme case is that of a reacti…
Hybrid density functionals show great promise for chemically-accurate first principles calculations, but their high computational cost limits their application in non-trivial studies, such as exploration of reaction pathways of adsorbents on periodic surfaces. One factor responsible for their increased cost is the den…
We apply the frozen density embedding method, using a full relaxation of embedded densities through a freeze-and-thaw procedure, to study the electronic structure of several benchmark ground-state charge-transfer complexes, in order to assess the merits and limitations of the approach for this class of systems. The ca…
Free-standing films have increasing applications in the biomedical field as drug delivery systems for wound healing and tissue engineering. Here, we prepared free-standing membranes by the layer-by-layer assembly of chitosan and alginate, two widely used biomaterials. Our aim was to produce a thick membrane and to stu…
In this study, the generational transfer and multigenerational effect of gold nanoparticles (AuNPs) on Caenorhabditis elegans were investigated by observing the parental generation (F0) to the fourth offspring generation (F4) using food-exposure approaches. There were no significant changes on survival rate under all…
Porous flower-like α-Fe 2 O 3 nanostructures synthesized by an ethylene glycol mediated self-assembly process are crystalline and porous with BET surface area of 64.6 m 2 g −1 . The discharge capacitance is 127 F g −1 when the electrodes are cycled in 0.5 M Na 2 SO 3 at a current density of 1 A g −1 . Capacitance rete…