Materials Literature
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When low-energy electrons strike a titanium dioxide surface, they may cause the desorption of surface oxygen. Oxygen vacancies that result from irradiating a TiO2(011)-2x1 surface with electrons with an energy of 300 electron volts were analyzed by scanning tunneling microscopy. The cross section for desorbing oxygen…
Using a semiclassical approach and input from experiments on the conductivity of graphene, we determine the electronic density dependence of the electronic transport coefficients---conductivity, thermal conductivity, and thermopower---of doped graphene. Also, the electronic density dependence of the optical conductivi…
Described is the synthesis of TiO 2 nanotube array thin films by anodization of Ti foil in an aqueous HCl electrolyte. This process represents an alternative electrolyte that can be utilized instead of fluoride-containing electrolytes. Nanotube arrays up to 300 nm in length, 15 nm inner pore diameter, and 10 nm wall t…
We detail anodic oxidation variables affecting the fabrication of vertically oriented TiO 2 nanotube arrays using an electrolyte of dimethyl sulfoxide (DMSO) containing either hydrofluoric acid (HF), potassium fluoride (KF), or ammonium fluoride (NH 4 F). Various anodization variables including F - ion concentration,…
In this work, the stability and mobility of protonic defects in acceptor doped $\mathrm{Ba}\mathrm{Zr}{\mathrm{O}}_{3}$ are investigated using density functional theory in conjunction with kinetic modeling. The interaction between the mobile protons and Zr-site substituted trivalent dopants---Ga, Sc, In, Y, and Gd---i…
We describe a peculiar fine structure acquired by the in-plane optical phonon at the Gamma point in graphene when it is brought into resonance with one of the inter-Landau-level transitions in this material. The effect is most pronounced when this lattice mode (associated with the G band in graphene Raman spectrum) is…
We present a comprehensive study of the solidification scenario in suspensions of colloidal hard spheres for three polydispersities between 4.8% and 5.8%, over a range of volume fractions from near freezing to near the glass transition. From these results, we identify four stages in the crystallization process: (i) an…
The calculation of the band-gap by density-functional theory (DFT) methods is examined by considering the behavior of the energy as a function of number of electrons. It is found that the incorrect band-gap prediction with most approximate functionals originates mainly from errors in describing systems with fractional…
We calculate the probabilities of two- and four-phonon Raman scattering in graphene and show how the relative intensities of the overtone peaks encode information about the relative rates of different inelastic processes electrons are subject to. If the most important processes are electron-phonon and electron-electro…
The biomolecular mechanism of nickel carcinogenicity is driven by intracellular Ni cation. The role of nickel catalyst in single-wall carbon nanotube toxicity will therefore depend on its bioavailability, which is highly uncertain due to encapsulation by carbon shells. This article measures the material-specific Ni re…
Abstract Ultra‐thin films of subphthalocyanine (SubPc) were grown onto Si/SiO 2 substrates by organic molecular beam deposition and the complex refractive index has been characterized by spectroscopic ellipsometry. The peak maximum in the extinction coefficient is determined to be 1.6 at 590 nm and the dielectric cons…
Tyrosine hydroxylase, a member of the aromatic amino acid hydroxylase family, uses a mononuclear Fe(II) and tetrahydropterin for hydroxylation of tyrosine to dihydroxyphenylalanine. Rapid-freeze quench Mössbauer spectroscopy has now provided direct evidence for the presence of an Fe(IV) intermediate in the reaction ca…
The Hugoniot curves for shock-compressed molybdenum with initial porosities of 1.0, 1.26, 1.83, and 2.31 are theoretically investigated. The method of calculations combines the first-principles treatment for zero- and finite-temperature electronic contribution and the mean-field-potential approach for the ion-thermal…
We investigate the interaction of a periodic solution and one-soliton solution for the spin-polarized current in a uniaxial ferromagnetic nanowire. The amplitude and wave number of the periodic solution for the spin current have the different contribution to the width, velocity, and the amplitude of soliton solution,…
Solution-grown single crystals of Fe(2)OBO(3) were characterized by specific heat, Mössbauer spectroscopy, and x-ray diffraction. A peak in the specific heat at 340 K indicates the onset of charge order. Evidence for a doubling of the unit cell at low temperature is presented. Combining structural refinement of diffra…
We present a first-principles investigation of the phonon-induced electron self-energy in graphene. The energy dependence of the self-energy reflects the peculiar linear band structure of graphene and deviates substantially from the usual metallic behavior. The effective band velocity of the Dirac fermions is found to…
We present a general theory of effective media to set up the relationship between the particle responses and the macroscopic system behaviors for artificial metamaterials composed of periodic resonant structures. By treating the unit cell of the periodic structure as a particle, we define the average permittivity and…
Silver grids are utilized to exclude the expensive use of indium tin oxide (ITO) in conjugated polymer photovoltaic devices. The grids are generated by electroless deposition from elastomeric microfluidic channels onto transparent substrates. The organic photovoltaic devices demonstrated here, with minimized series re…
Abstract In this Full Paper, a water/alcohol/oleic acid system was developed to prepare NaYF 4 nanocrystals with predictable size, shape and phase. The structural and kinetic factors that govern the phase and shape evolution of NaYF 4 nanocrystals have been carefully studied, and the influence of NaF to Y 3+ ratio, re…
The present work aims to test the validity of the electronic shell model for Au 25 (SC 6 H 13 ) 18 by monitoring the charge state of the Au:S core and thereby to elucidate the origin of magic stability. Electrospray ionization mass spectrometry revealed that the Schiffrin method yields [Au 25 (SC 6 H 13 ) 18 ] x with…