Materials Literature
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Hard x-ray valence band photoemission spectroscopy (PES) is realized using high-energy and high-brilliance synchrotron radiation. High-energy (∼6 keV) excitation results in larger probing depths of photoelectrons compared to conventional PES, and enables a study of intrinsic electronic property of materials in actual…
We report a measurement of the parity-violating asymmetry in fixed target electron-electron (M\o{}ller) scattering: ${A}_{\mathrm{PV}}=[\ensuremath{-}175\ifmmode\pm\else\textpm\fi{}30(\mathrm{stat})\ifmmode\pm\else\textpm\fi{}20(\mathrm{syst})]\ifmmode\times\else\texttimes\fi{}{10}^{\ensuremath{-}9}$. This first direc…
Periodic density functional theory (DFT) based on plane waves (PW) and Hartree−Fock (HF) based on the linear combination of atomic orbitals (LCAO) calculations using slabs separated by vacuum gaps were carried out to model the H 2 O−TiO 2 (rutile) (110) interface. Positions of all atoms were allowed to relax except at…
Tensile stress–strain curves demonstrate that single-phase nanocrystalline face-centered-cubic (fcc) metals are intrinsically ductile and their failure begins with necking. However, the area reductions and the fracture behaviors were found to be dependent on the grain size. When plastic deformation is governed by disl…
Ionically dispersed Rh over CeO 2 in Rh/CeO 2 catalysts prepared by a single step solution combustion method is shown to improve the redox property and catalytic activity. The H 2 /Rh ratio obtained from hydrogen uptake measurement was 5.4, 2.4, and 2.1, respectively in 0.5, 1, and 2% Rh/CeO 2, indicating a significan…
The addition of Pd into Ni/SiO 2 improved the catalytic activity and life for methane decomposition into hydrogen and carbon nanofibers. Thus, Pd-added Ni/SiO 2 (denoted as Pd−Ni/SiO 2 ) was characterized by measuring the Ni and Pd K-edge XANES and EXAFS and TEM images. Methane decomposition on Ni/SiO 2 or Pd/SiO 2 fo…
The structure of homogeneous binary SiO 2 −Al 2 O 3 glasses with 0.4 to up to 12.0 wt % Al 2 O 3 have been studied using high-resolution 27 Al, 17 O, and 29 Si NMR spectroscopic techniques. All glasses are found to contain a mixture of 4-, 5-, and 6-fold coordinated Al sites (Al IV, Al V, and Al VI ). The relative pro…
The initial stages of the formation of SBA-15 have been studied by in situ SAXS/XRD using synchrotron radiation. Modeling of both the diffuse scattering and the X-ray diffraction patterns obtained at different stages of the reaction results in a detailed description of the different reaction steps. The first step in t…
Abstract 2‐Methacryloyloxyethyl phosphorylcholine (MPC), a biomimetic monomer, was grafted from silicon wafer surfaces at room temperature by combining self‐assembly of initiator and surface‐initiated atom transfer radical polymerization. Two methods were used to control the grafting process. One was to add free initi…
In this work we reexamine the LDA+U method of Anisimov and coworkers in the framework of a plane-wave pseudopotential approach. A simplified rotational-invariant formulation is adopted. The calculation of the Hubbard U entering the expression of the functional is discussed and a linear response approach is proposed th…
Using density-functional-theory calculations, we have identified new stable configurations for tri-, tetra-, and penta-vacancies in silicon. These new configurations consist of combinations of a ring-hexavacancy with three, two, or one interstitial atoms, respectively, such that all atoms remain fourfold. As a result,…
Orbital-free density functional theory as an extension of traditional Thomas-Fermi theory has attracted a lot of interest in the past decade because of developments in both more accurate kinetic energy functionals and highly efficient numerical numerical methodology. In this paper, we developed a new conjugate-gradien…
We demonstrate the exchange coupling of a ferromagnetic semiconductor (Ga1-xMnxAs) with an overgrown antiferromagnet (MnO). Unlike most conventional exchange biased systems, the blocking temperature of the antiferromagnet (T_B = 48 +- 2 K) and the Curie temperature of the ferromagnet (T_C = 55.1 +- 0.2 K) are comparab…
Electronic structures of homogeneous bulk samples of Zn0.9Co0.1O which do not exhibit diluted ferromagnetic semiconducting (DMS) behavior have been investigated using photoemission spectroscopy and x-ray absorption spectroscopy. We have found that the Co ions in Zn1−xCoxO are in the divalent Co2+(d7) states under the…
Shell cross-linked nanoparticles (SCKs) presenting surface- and bioavailable biotin functional groups were synthesized via a mixed micelle methodology, whereby co-micellization of chain terminal biotinylated poly(acrylic acid)-b-poly(methyl acrylate) (PAA-b-PMA) and nonbiotinylated PAA-b-PMA were cross-linked in an in…
A new multistep approach was developed to synthesize atomically ordered intermetallic nanocrystals, using AuCu and AuCu(3) as model systems. Bimetallic nanoparticle aggregates are used as precursors to atomically ordered nanocrystals, both to precisely define the stoichiometry of the final product and to ensure that a…
We derive a t-J model with electron-phonon coupling from the three-band model, considering modulation of both hopping and Coulomb integrals by phonons. While the modulation of the hopping integrals dominates, the modulation of the Coulomb integrals cannot be neglected. The model explains the experimentally observed an…
As an introductory lecture to the workshop an overview is given over continuum models for homoepitaxial surface growth using partial differential equations (PDEs). Their {\em heuristic derivation} makes use of inherent symmetries in the physical process (mass conservation, crystal symmetry, ...) which determines their…
The effect of finite deformed length is demonstrated by squashing an armchair (10,10) single-walled carbon nanotube with two finite tips. Only when the deformed length is long enough, an effectual metal–semiconductor–metal heterojunction can be formed in the metallic tube. The effect of finite deformed length is expla…
Unpurified carbon nanotubes were introduced to silicone elastomer to investigate their effect on the thermal conductivity. Microstructure studies by a scanning electron microscope showed that the carbon nanotubes (CNTs) can be well dispersed in the matrix by the grinding method. No notable agglomerates or phase separa…