Materials Literature
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We show that a dilute ensemble of epoxy-bonded adatoms on graphene has a tendency to form a spatially correlated state accompanied by a gap in graphene's electron spectrum. This effect emerges from the electron-mediated interaction between adatoms with a peculiar $1/r^3$ distance dependence. The partial ordering trans…
We have developed a methodology to study the thermodynamics of order-disorder transformations in n-component substitutional alloys that combines nonequilibrium methods, which can efficiently compute free energies, with Monte Carlo simulations, in which configurational and vibrational degrees of freedom are simultaneou…
Calculating highly accurate thermochemical properties of condensed matter via wave function-based approaches (such as e.g. Hartree-Fock or hybrid functionals) has recently attracted much interest. We here present two strategies providing accurate Hartree-Fock energies for solid LiH in a large Gaussian basis set and ap…
The spinels ${\text{CoB}}_{2}{\text{O}}_{4}$ with magnetic ${\text{Co}}^{2+}$ ions on the diamond lattice $A$ site can be frustrated because of competing near-neighbor $({J}_{1})$ and next-near-neighbor $({J}_{2})$ interactions. Here we describe attempts to understand these interactions by substitution on the nonmagne…
We describe the preparation and characterization of (a) discrete, individual motifs and (b) arrays of crystalline and pure semiconducting transition metal sulfide (CuS, PbS, and CdS) nanowires, synthesized via an inexpensive, generalizable, simplistic, and ambient modified template-directed technique. We have demonstr…
The kinetics of hydrogen uptake by N -ethylcarbazole and carbazole, and the kinetics of H 2 release from their hydrogenated products, is reported. The hydrogenation of N -ethylcarbazole at 130−150 °C on Ru was well described by a network of first-order stepwise hydrogenation reactions. The hydrogenation of N -ethylcar…
Photoluminescent materials have been extensively applied in various fields of science because of their numerous advantages, such as excellent sensitivity, good specificity, a large linear range of analysis, ease of handling, and so on. Many strategies have been used to understand and manipulate the photophysical prope…
More than on and off: The title complex (see picture) comprises addressable modules that respond independently to protic (alkynyl ligand⇄vinylidene ligand), electrochemical (metal-centered redox: RuII⇄RuIII), and photochemical (dithienylperfluorocyclopentene ring-opening⇄ring-closing) stimuli. The six states are inter…
Preformed carbon nanotube thin films (10-20 microm), or buckypapers (BPs), consist of dense and entangled nanotube networks, which demonstrate high electrical conductivity and provide potential lightweight electromagnetic interference (EMI) solutions for composite structures. Nanocomposite laminates consisting of vari…
Color-tuned: Monodisperse silver right-triangular bipyramids (see SEM image) were formed by photoinduced synthesis in high yield. The edge length of the bipyramids can be easily controlled by the wavelength of excitation light (see diagram).
This paper offers a study of oxygen dissolution into a solid, and its consequences on the mechanical behaviour of the material. In fact, mechanical strains strongly influence the oxidation processes and may be, in some materials, responsible for cracking. To realize this study, mechanical considerations are introduced…
We perform detailed numerical simulations of field ion microscopy images of faceted crystals and compare them with experimental observations. In contrast to the case of crystals with a smooth surface, for a faceted topography we find extreme deformations of the ion image. Local magnification is highly inhomogeneous an…
We present a technique to calculate the spin relaxation of hot electrons during their energy thermalization in the Gamma-valley of zinc-blende semiconductors. The results of this model match recent experimental data and they can be used to check the applicability of spin related boundary conditions across a semiconduc…
We present an experimental study of the power spectrum of current-driven magnetization oscillations in MgO tunnel junctions under low bias. We find the existence of narrow spectral lines, down to 8 MHz in width at a frequency of 10.7 GHz, for small applied fields with clear evidence of an auto-oscillation threshold. M…
The propensity of nanoparticles to aggregate in aqueous media hinders their effective use in biomedical applications. Gold nanorods (GNRs) have been investigated as therapeutics, imaging agents, and diagnostics. We report that chemically generated gold nanorods rapidly aggregate in biologically relevant media. Deposit…
Coal, still used to generate more than half of the electric power in the U.S., will likely be part of any future global energy plan. But this finite resource is also responsible for 80 percent of the CO2 emissions from power production, and its continued use will require improved processing techniques that are less da…
We demonstrate a new enzyme-induced disassembly of amphiphilic nanocontainers based on dendrimers. Disassembly and the ensuing release of noncovalently bound guest molecules are of great interest because of their implications in areas such as drug delivery and sensing. Achieving these with a protein as the stimulus is…
Corrosion of metallic oilfield pipelines by microorganisms is a costly but poorly understood phenomenon, with standard treatment methods targeting mesophilic sulfate-reducing bacteria. In assessing biocorrosion potential at an Alaskan North Slope oil field, we identified thermophilic hydrogen-using methanogens, syntro…
Design of an extensive supramolecular three-dimensional network that is both robust and adaptive represents a significant challenge. The molecular system PP2b based on a perylene diimide chromophore (PDI) decorated with polyethylene glycol groups self-assembles in aqueous media into extended supramolecular fibers that…
1,3,5,7-Tetramethyl-Bodipy derivatives undergo Knoevenagel-type condensations with aromatic aldehydes to ultimately yield tetrastyryl-Bodipy derivatives. The resulting dyes absorb and emit strongly in the near IR. As the versatility of the Bodipy dyes are fully appreciated, these new tetrastyryl dyes are likely to be…