Materials Literature
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Based on parameter-free density-functional-theory calculations, we demonstrate the possibility of nonrectilinear curling vortex electric dipole configurations in ${\text{PbTiO}}_{3}$ nanowires. We predict that the critical size for the genesis of the vortex polarization instability (with an axial toroidal moment) is $…
Experimental and computational analysis of the structure and bonding in a series of 3c,2e titanocene amidoborane complexes reveals a scenario similar to that in related alkyl and amidoalkyl systems, with delocalization of the Ti−N bond and the formation of a Ti···H−B interaction. Although the agostic interaction is me…
We investigate force transmission through a layer of shear-thickening fluid, here a concentrated aqueous cornstarch suspension. When a solid body is pushed through this complex fluid and approaches its containing wall, a hardened volume of the suspension is observed that adds to the leading side of the body. This volu…
The mechanisms of oxygen diffusion in GdBaCo2O5.5 compound are investigated by molecular dynamics simulations. The results confirm that diffusion is mainly bidimensional with oxygen moving in the (a,b) plane while diffusion along the c axis is much more difficult. Between 1000 and 1600 K, the activation energy for dif…
Amphiphilic helical peptides (Sar)(m) -b-(L-Leu-Aib)(n) (m = 22-25; n = 7, 8, 10) with a hydrophobic block as a right-handed helix were synthesized and their mixtures with (Sar)(25) -b-(D-Leu-Aib)(6) containing the hydrophobic block as a left-handed helix were examined in their molecular assembly formation. The single…
In this communication, we provide a recipe for a consistent relation between dynamic scaling and thermodynamic properties well-grounded by the same intermolecular generalized Lennard-Jones potential, which is derived by using an essentially modified Avramov model within the framework of the "thermodynamic scaling" ide…
Josephson junctions with iron pnictides open the way for fundamental experiments on superconductivity in these materials and their application in superconducting devices. Here, we present hybrid Josephson junctions with a BaFe_{1.8}Co_{0.2}As_2 thin film electrode, an Au barrier and a PbIn counter electrode. The junct…
A novel controlled-release formulation (CRF) of the herbicide 2,4-dichlorophenoxyacetic acid (2,4-D) was developed to reduce its negative environmental impacts by improving its herbicidal efficacy. The 2,4-D was chemically caged by coupling with photoremovable protecting groups (PRPGs) of coumarin derivatives. Photoph…
A new method is presented for functionalizing electrospun nanofibers with GAGs and growth factors by PEM deposition. Electrospun chitosan nanofibers, spun from trifluoroacetic acid and dichloromethane, were coated with PEMs, using the polysaccharides heparin and N,N,N-trimethyl chitosan. FGF-2 was adsorbed on the PEM-…
In this work, nanostructured particles of porous silicon are demonstrated to act as an effective carrier for the sustained delivery of antibacterial agents with an enhanced inhibitory activity. Methods are described for the incorporation of significant amounts of the established antibacterial compound triclosan (Irgas…
A biocompatible core-shell nanocapsule is fabricated to target tumor vascular endothelial cells where it releases anti-angiogenesis and anticancer drugs sequentially. The fabrication of the core-shell nanocapsule is accomplished through a robust double self-assembly procedure: the hydrophobic polymeric core is first p…
Atomistic molecular dynamics simulations are performed to study the stripelike patterns formed by phase separation of immiscible surfactants grafted on spherical surfaces. In previous work ( Phys. Rev. Lett. 2007, 99, 226106), we showed that the formation of a striped phase for a mixture of two different length surfac…
We show that the tilt angle of nanostructures obtained by glancing angle sputtering is finely tuned by selecting the adequate argon pressure. At low pressures, a ballistic deposition regime dominates, yielding high directional atoms that form tilted nanocolumns. High pressures lead to a diffusive regime which gives ri…
Using the first-principles calculations with the correction of on-site Coulomb interaction, we found that single O vacancy (V O ) in cubic SrTiO 3 takes a magnetic ground state in which V O induces a singly-occupied localized state in the band gap and a delocalized state in the conduction band. Our calculations showed…
An extrinsic corrugation-assisted mechanical exfoliation process is introduced to fabricate ultra-large, patterned monolayer graphene on silicon substrates. This exfoliation method, without any contamination, offers not only an ideal alternative for the scalable deposition of monolayer graphene on silicon substrates,…
Chiral superconductivity emerges in three-band superconductors when interband interactions are much smaller than intraband interactions and either one or three interband interactions are positive. The chiral ground states are demonstrated using the phenomenological Ginzburg–Landau free energy modeling of three-compone…
A structured polymer was synthesized by surface initiated photopolymerization in the presence of a cholesteric liquid crystal (CLC). The templated helical polymer (traversing 2/3 the cell thickness) was backfilled with an opposite handedness, photoresponsive CLC mixture yielding a photo-induced, large contrast, hyper-…
The heterogeneous chemistry of surface-adsorbed polycyclic aromatic hydrocarbons (PAHs) plays key roles in nanoscience, environmental science, and public health. Experimental evidence shows that the substrate can influence the heterogeneous oxidation of surface-bound PAHs, however, a mechanistic understanding of the r…
Europium-doped gadolinium carbonates particles have been prepared via urea-assisted precipitation. The reaction has been followed step by step with the investigations of the precipitate by transmission electron microscopy and wide-angle X-ray scattering, in relation with infrared absorption and thermal analyses. It ha…
A common assumption in the glass science community is that the entropy of a glass can be calculated by integration of measured heat capacity curves through the glass transition. Such integration assumes that glass is an equilibrium material and that the glass transition is a reversible process. However, as a nonequili…