Materials Literature
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CO oxidation on PtO2(110) has been studied using density functional theory calculations. Four possible reaction mechanisms were investigated and the most feasible one is the following: (i) the O at the bridge site of PtO2(110) reacts with CO on the coordinatively unsaturated site (CUS) with a negligible barrier; (ii)…
The dependence of resistivity on temperature in thin metal films is investigated by extending the model of Mayadas and Shatzkes to include temperature dependence. It is shown that previous interpretations of a dominant grain boundary mechanism are not necessarily correct, and that the combined influence of grain bound…
This paper summarizes the analysis of the influence of anisotropy on the stress-optic coefficients and the determination of the stress-optic tensor components π11−π12 and π44 using an infrared polariscope and calibration with four-point bending of thin silicon samples. Values obtained are π11−π12=9.88×10−13Pa−1 and π4…
Schmidt and Eberl demonstrated the construction of tubes with submicron diameters by the method of folding thin solid films [Nature (London)NATUAS 410, 168 (2001)]. In their method, a thin film is folded 180° and brought into adhesive contact with itself. The resulting sealed loop forms a nanotube with the thickness o…
Electronic structures and magnetic properties of various possible ternary transition-metal compounds based on zincblende ZnTe and CdTe semiconductors are systematically explored by using an accurate density-functional method. Half-metallic (HM) ferromagnetism is found in the ZnTe and CdTe heavily doped with Cr, V, and…
A molecular approach to information storage employs redox-active molecules tethered to an electroactive surface. Zinc porphyrins tethered to Au(111) or Si(100) provide a benchmark for studies of information storage. Three sets of porphyrins have been synthesized for studies of the interplay of molecular design and cha…
Laminated composite rings of magnetostrictive Terfenol-D (TbxDy1−xFe2) and piezoelectric Pb(Zr1−xTix)O3 have been analyzed and prototyped. A circumferentially magnetized and circumferentially polarized (or C-C) magnetoelectric (ME) mode was investigated. Analysis and measurements have shown that C-C laminated rings ha…
Stimulated emission from silicon-nanocrystal planar waveguides grown via phase separation and thermal crystallization of SiO∕SiO2 superlattices is presented. Under high power pulsed excitation, positive optical gain can be observed once a good optical confinement in the waveguide is achieved and the silicon nanocrysta…
By performing molecular dynamics simulations of binary Lennard-Jones systems with three different potentials, we show that the increase of anharmonicity and capacity for intermolecular coupling of the potential is the cause of (i) the increase of kinetic fragility and nonexponentiality in the liquid state, and (ii) th…
Electro- and photoluminescence spectra of the CdSe∕ZnS core-shell quantum dots (QDs) covered by various organic ligands and incorporated into multilayered light-emitting diodes (LEDs) were recorded by a confocal optical microscope. The QDs were dispersed in a hole transporting material, N,N’-Diphenyl-N,N’-bis(3-methyl…
Nanoindentation tests were performed directly on solid and hollow cuprous oxide (Cu 2 O) nanocubes. The hardness and elastic modulus of solid Cu 2 O nanocubes were measured and compared with the values of bulk Cu 2 O. It is found that the hollow cube top wall acts as a membrane that bends under an indentation load. Th…
We demonstrate a straightforward way to lithographically fabricate Mn12-acetate (Mn12O12(CH3COO)16(H2O)4 2CH3COOH 4H2O) thin film patterns on Si/SiO2 surfaces, a significant step in light of the chemical volatility of this organic complex. Atomic force microscopy (AFM) images of the film patterns allow the determinati…
Films of the molecular nanomagnet, Mn12-acetate, have been deposited using pulsed laser deposition and a novel variant, matrix assisted pulsed laser evaporation. The films have been characterized by X-ray photoelectron spectroscopy, mass spectrometry and magnetic hysteresis. The results indicate that an increase in la…
In lateral quantum dots, the combined effect of both Dresselhaus and Bychkov-Rashba spin orbit coupling is equivalent to an effective magnetic field B_so which has the opposite sign for s_z=1/2 spin electrons. When the external magnetic field is perpendicular to the planar structure, the field B_so generates an additi…
We present calculations for electronic and magnetic properties of surface states confined by a circular quantum corral built of magnetic adatoms (Fe) on a Cu(111) surface. We show the oscillations of charge and magnetization densities within the corral and the possibility of the appearance of spin--polarized states. I…
High quality ZnO thin films were grown using the pulsed laser deposition technique on (0001) Al2O3 substrates in an oxidizing atmosphere, using a Zn metallic target. We varied the growth conditions such as the deposition temperature and the oxygen pressure. First, using a battery of techniques such as x-ray diffractio…
The theory of paramagnetic limit of superconductivity in metals without inversion center is developed. There is in general the paramagnetic suppression of superconducting state. The effect is strongly dependent on field orientation in respect to crystal axes. The reason for this is that the degeneracy of electronic st…
We present a simple method to measure the radiative and nonradiative recombination rates of individual fluorescent emitters at room temperature. By placing a single molecule successively close and far from a dielectric interface and simultaneously measuring its photoluminescence decay and its orientation, both the rad…
Through the years the GRID force field has been tuned to fit experimental observations in crystal structures. This paper describes the determination of the hydrogen bonding pattern for organic fluorines based on an exhaustive inspection of the Protein Data Bank. All the PDB complexes, whose protein structures have coc…
BiFeO 3 thin films have been prepared on Pt∕TiO2∕SiO2∕Si substrates under various oxygen pressures of 0.15–0.005Torr at a temperature of 450°C by pulsed-laser deposition. The effects of deposition pressure on their crystal structure and multiferroic properties have been investigated at room temperature. X-ray diffract…