Materials Literature
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While recent advances in the synthesis and crystallography of gold–thiolate nanoclusters have led to enormous progress in understanding the structure and bonding of gold thiolate nanomaterials, the changes in structure experienced by these nanomaterials in different conditions, such as low temperature and solvation, i…
Monodisperse Au(25)L(18)(0) (L = S(CH(2))(2)Ph) and [n-Oct(4)N(+)][Au(25)L(18)(-)] clusters were synthesized in tetrahydrofuran. An original strategy was then devised to oxidize them: in the presence of bis(pentafluorobenzoyl) peroxide, the neutral or the negatively charged clusters react as efficient electron donors…
The decomposition of Fe-Cr solid solutions during thermal aging is modeled by Atomistic Kinetic Monte Carlo (AKMC) simulations, using a rigid lattice approximation with composition dependant pair interactions that can reproduce the change of sign of the mixing energy with the alloy composition. The interactions are fi…
The dc magnetization and magnetic relaxation studies of the calcium-doped samples ${\mathrm{Y}}_{0.95}$Ca${}_{0.05}$BaCo${}_{2}$O${}_{5.5}$ and YBa${}_{0.95}$Ca${}_{0.05}$Co${}_{2}$O${}_{5.5}$ show the existence of a magnetic glasslike behavior in the family of cobaltites. Our investigations reveal glasslike arrest of…
Graphene-polyvinyl alcohol (PVA) nanocomposite films with thickness of 120 μm were synthesized by solidification of PVA in a solution with dispersed graphene nanosheets. Electrical conductivity data were explained as arising due to hopping of carriers between localized states formed at the graphene-PVA interface. Diel…
A simple algorithm and a computational program to numerically compute the electric field gradient and the concomitant quadrupolar nuclear splitting is developed for an arbitrary ionic crystal. The calculations are performed using a point charge model. The program provides three different ways for the data input: by Br…
We study the thermoelectric properties of three-dimensional topological insulators with many holes (or pores) in the bulk. We show that at high density of these holes the thermoelectric figure of merit ZT can be large due to the contribution of the conducting surfaces and the suppressed phonon thermal conductivity. Th…
We discovered that ultrafast cyclopolymerization of 1,6-heptadiyne derivatives reached completion in 1 min using a third-generation Grubbs catalyst. After optimization, this superior catalyst selectively produced conjugated polymers having a five-membered-ring structure with excellent molecular weight control and narr…
Spin-dependent features in the conductivity of graphene, chemically modified by a random distribution of hydrogen adatoms, are explored theoretically. The spin effects are taken into account using a mean-field self-consistent Hubbard model derived from first-principles calculations. A Kubo transport methodology is use…
The phonon thermal conductivity in diamond nanowires (DNWs) is studied by molecular dynamics simulation. It is found that the thermal conductivity in narrower DNW is lower and does not show obvious temperature dependence; a very small value (about 2.0 W/m/K) of thermal conductivity is observed in ultra-narrow DNW, whi…
Two-level modeling for nanoscale pattern formation on silicon target by Ar$^+$ ion sputtering is presented. Phase diagram illustrating possible nanosize surface patterns is discussed. Scaling characteristics for the structure wavelength dependence versus incoming ion energy are defined. Growth and roughness exponents…
At low temperature, T -> 0, the yield stress of a perfect crystal is equal to its so called theoretical strength. The yield stress of non-perfect crystals is controlled by the stress threshold of dislocation mobility. A non-crystalline solid has neither an ideal structure nor gliding dislocations. Its yield stress, i.…
We investigate the effect of thermal fluctuations on the critical stress and the micro-structure of damage preceding macroscopic fracture of Lennard-Jones solids under a constant external load. Based on molecular dynamics simulations of notched specimens at finite temperature, we show that the crystalline structure ge…
The crystallographic symmetries and spatial distribution of stacking domains in graphene films on SiC have been studied by low energy electron diffraction (LEED) and dark field imaging in a low energy electron microscope (LEEM). We find that the graphene diffraction spots from 2 and 3 atomic layers of graphene have 3-…
Fiber reinforced polymer composites (FRPs) are being increasingly used for a wide range of engineering applications owing to their high specific strength and stiffness. However, their through-the-thickness performance lacks some of the most demanding physical and mechanical property requirements for structural applica…
Graphene from two different preparative routes was successfully functionalized with 4-propargyloxybenzenediazonium tetrafluoroborate in order to study a subsequent attachment by click chemistry (1,3-dipolar azide–alkyne cycloaddition) of a short chain polyethylene glycol with terminal carboxylic end group (PEG-COOH).…
pH regulates many cellular processes and is also an indicator of disease progression. Therefore, pH-responsive materials often serve as either tools in the fundamental understanding of cell biology or medicine for disease diagnosis and therapy. While gold nanoparticles have broad biomedical applications, very few of t…
We present Kelvin probe force microscopy measurements of single- and few-layer graphene resting on SiO${}_{2}$ substrates. We compare the layer thickness dependency of the measured surface potential with ab initio density functional theory calculations of the work function for substrate-doped graphene. The ab initio c…
A systematic study of the permeation of small molecules through Pdop microcapsules is reported. The zwitterionic Pdop microcapsules are prepared by oxidative polymerization of dopamine on polystyrene microspheres followed by core removal with THF. Rhodamine 6G, methyl orange and alizarin red are chosen as differently…
ADVERTISEMENT RETURN TO ISSUEPREVReviewNEXTDendrimers as Encapsulating, Stabilizing, or Directing Agents for Inorganic NanoparticlesLyudmila M. Bronstein*† and Zinaida B. Shifrina‡View Author Information† Department of Chemistry, Indiana University, Bloomington, Indiana 47405, United States‡ A.N. Nesmeyanov Institute…