Materials Literature
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Abstract Summary: Oligo(ethylene glycol) methacrylate (OEGMA) was grafted from silicon wafer surfaces by surface‐initiated atom transfer radical polymerization (ATRP) with Cu I Br/2,2′‐bipyridine (bpy) as a catalyst and various water/alcohol mixtures as solvents. The ellipsometric thickness of the poly(OEGMA) layer on…
We investigate statistics of dynamical exchange events in coarse-grained models of supercooled liquids in spatial dimensions d=1, 2, and 3. The models, based upon the concept of dynamical facilitation, capture generic features of statistics of exchange times and persistence times. Here, distributions for both times ar…
“Surface-programmed assembly” is presented as a technique (see Figure) to achieve high-precision assembly and alignment of a large number of pristine V2O5 nanowires on solid substrates. Positively charged surface molecular patterns guide the assembly and alignment of negatively charged V2O5 nanowires on solid substrat…
InP nanocrystals with narrow size distribution and mean particle diameter tunable from approximately 2 up to approximately 7 nm were synthesized via the dehalosilylation reaction between InCl3 and tris(trimethylsilyl)phosphine. Specific capping of the nanocrystal surface with a shell of organic ligands protects the na…
Molecular-dynamics simulations of a first-principles Hamiltonian for the model relaxor ferroelectric were used to determine the nature of correlations between chemical and polar short-range order. Relative to chemically disordered regions (CDRs), chemically ordered regions (CORs) exhibit enhanced polarization, and pol…
A cylindrical-phase diblock copolymer ultrathin film is modified with vacuum UV light to selectively remove one of the surface domain components. The corrugated film then serves as a template for the self-organization of colloidal magnetic nanoparticles (see Figure). This hierarchical methodology is a general route to…
We report giant magnetoresistance up to 150 percent at low bias current and low temperature as well as room temperature magnetoresistance in polymeric spin-valves having the structure LSMO/conjugated polymer/Co. The conjugated polymers, regiorandom and regioregular P3HT were used as the spacer materials. We observed a…
We present a study of the magnetoresistance, the specific heat and the magnetocaloric effect of equiatomic $RET$Mg intermetallics with $RE = {\rm La}$, Eu, Gd, Yb and $T = {\rm Ag}$, Au and of GdAuIn. Depending on the composition these compounds are paramagnetic ($RE = {\rm La}$, Yb) or they order either ferro- or ant…
Hollow silica particles with mesoporous walls (see Figure) are synthesized from solution by co-assembly of silica with cationic fluorinated surfactants. The particles resemble vesicles, but retain wall patterns, indicating that they do not form from silica-coated bilayers but by the co-assembly of silica with micelles…
Coarse-grained molecular dynamics (CGMD) is a technique developed as a concurrent multiscale model that couples conventional molecular dynamics (MD) to a more coarse-grained description of the periphery. The coarse-grained regions are modeled on a mesh in a formulation that generalizes conventional finite element mode…
Nano-scaled substrate surface roughness is shown to strongly influence the critical current density Jc in YBCO films made by pulse-laser-deposition on the crystalline LaAlO3 substrates consisting of two separate twin-free and twin-rich regions. The nano-scaled corrugated surface was created in the twin-rich region dur…
We present the results of molecular dynamics simulations of odd alkane impurities present within the hexane (even alkane) monolayer. We simulate various temperatures at ca. 3%, 5%, 10%, and 15% impurities of propane, pentane, heptane, nonane, and undecane, each having a low-temperature solid phase belonging to a diffe…
Energy landscape mappings are performed for two different molecular systems under mechanical loads. Barrier heights are observed to scale as $ΔU\simδ^{3/2}$, where $δ$ is a residual load. Catastrophe theory predicts that this scaling should arise for vanishing $δ$, however, this region is irrelevant in physical proces…
We present density-functional theory (DFT) and quantum Monte Carlo (QMC) calculations designed to resolve experimental and theoretical controversies over the optical properties of H-terminated C nanoparticles (diamondoids). The QMC results follow the trends of well-converged plane-wave DFT calculations for the size de…
Heterometallic molecular chromium wheels are fascinating new magnetic materials. We reexamine the available experimental susceptibility data on MCr7 wheels in terms of a simple isotropic Heisenberg Hamiltonian for M=Fe, Ni, Cu, and Zn and find in that FeCr7 needs to be described with an iron-chromium exchange that is…
Static susceptibility of kappa-[(BEDT-TTF)1-x(BEDSe-TTF)x]2Cu[N(CN)2]Br alloys with the BEDSe-TTF content near the border-line of ambient pressure superconductivity (x~0.3) has been measured as a function of temperature, magnetic field, and pressure. A non-monotonic pressure dependence is observed for both the superco…
Aligned arrays of ultrathin, high-quality ZnO nanotubes (see Figure) have been synthesized via hydrothermal growth methods on Si that has been pre-coated with a thin film of ZnO. The nanorods are single-crystalline, with typical wall thicknesses and outer diameters of 5–15 and 20–40 nm, respectively. Annealing the arr…
Photoactivated template-based synthesis of fluorescent Ag nanoclusters in the interior of microgel particles has been demonstrated. Photoluminescence intensity and emission wavelength varies with the time of photoactivated synthesis. Optical properties of the photogenerated Ag nanoclusters strongly depend on the acidi…
Line integral forms for the elastic field of dislocations in anisotropic, multilayer materials are developed and utilized in Parametric Dislocation Dynamics (PDD) computer simulations. Developed equations account for interface image forces on dislocations as a result of elastic modulus mismatch between adjacent layers…
The use of metal 2D subwavelength structures (SWSs) is a promising solution for all those applications where a selective emission from a thermal source is desirable, e.g., photovoltaic and blackbody emission. The investigation of the SWS's photonic bandgap properties is challenging, especially for the infrared and vis…