Materials Literature
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Standard spin-polarized density functional theory calculations have been conducted to study the electronic structures and magnetic properties of O and S functionalized zigzag boron nitride nanoribbons (zBNNRs). Unlike the semiconducting and nonmagnetic H edge-terminated zBNNRs, the O edge-terminated zBNNRs have two en…
We introduced a method to obtain the continuum description of the elastic properties of mono- layer h-BN through ab initio density functional theory. This thermodynamically rigorous contin- uum description of the elastic response is formulated by expanding the elastic strain energy density in a Taylor series in strain…
Using molecular dynamics simulations of many junction stretching processes we analyze the thermopower of silver (Ag), gold (Au), and platinum (Pt) atomic contacts. In all cases we observe that the thermopower vanishes on average within the standard deviation and that its fluctuations increase for decreasing minimum cr…
The syntheses, structures, and magnetic properties are reported for four new lanthanide clusters [Sm(4)(μ(3)-OH)(2)L(2)(acac)(6)]·4H(2)O (1), [Gd(4)(μ(3)-OH)(2)L(2)(acac)(6)]·4CH(3)CN (2), and [Ln(4)(μ(3)-OH)(2)L(2)(acac)(6)]·2H(2)L·2CH(3)CN (3, Ln = Tb; 4, Ln = Dy) supported by salen-type (H(2)L = N,N'-bis(salicylide…
We demonstrate a simple and effective technique for dispersing pristine (unfunctionalized) graphene at high concentrations in a wide range of organic solvents by use of a stabilizing polymer (polyvinylpyrrolidone, PVP). These polymer-stabilized graphene dispersions are shown to be highly stable and readily redispersib…
The production of graphene with open band gaps for the manufacturing of graphene-based electronic and optical devices requires synthesis methods to either control the number of layers to enrich AB-stacked bilayer or trilayer graphene or control the extent of functionalization of monolayer graphene. Solution-phase disp…
The impact of the ovo proteins ovalbumin and lysozyme--present in the first stage of egg shell formation--on the homogeneous formation of the liquid amorphous calcium carbonate (LACC) precursor, was studied by a combination of complementing methods: in situ WAXS, SANS, XANES, TEM, and immunogold labeling. Lysozyme (pI…
The antifouling and self-cleaning properties of plants such as Nelumbo nucifera (lotus) and Colocasia esculenta (taro) have been attributed to the superhydrophobicity resulting from the hierarchical surface structure of the leaf and the air trapped between the nanosized epicuticular wax crystals. The reported study sh…
A facile room-temperature surfactant-free solution–chemical route has been developed to fabricate Cu 2 O nanocubes, octahedrons, spheres, plates, and polyhedrons by varying the reaction atmosphere (air or Ar) and reducing agent. It is believed that the oxygen adsorption and reaction on the surface of Cu 2 O may be abl…
Abstract Thermomechanical behavior of membranes based on blends of poly(vinyl alcohol) (PVA) with different weight percentage (wt %) of glycerol has been studied. Solid‐state PVA/Glycerol polymer membranes were prepared by a solution casting method. The films were studied for thermal characteristics by differential sc…
In the present work, we describe a simple procedure to produce biomimetically coated silver nanoparticles (Ag NPs), based on the postfunctionalization and purification of colloidal silver stabilized by citrate. Two biological capping agents have been used (cysteine Cys and glutathione GSH). The composition of the capp…
A novel nonempirical scaling correction method is developed to tackle the challenge of band gap prediction in density functional theory. For finite systems the scaling correction largely restores the straight-line behavior of electronic energy at fractional electron numbers. The scaling correction can be generally app…
The elastic properties and structural phase transitions of individual VO(2) nanowires were studied using an in situ push-to-pull microelectromechanical device to realize quantitative tensile analysis in a transmission electron microscope and a synchrotron X-ray microdiffraction beamline. A plateau was detected in the…
Feeling blue: the luminescence of a triarylboron compound has a high quantum yield (at least 0.64) over a wide temperature range (-50 to +100 °C) and changes from green to blue as the temperature is increased. The luminescence color was determined by the population of the two distinct excited-state conformations-a loc…
Plasmon-resonant nanoparticle complexes show highly promising potential for light-triggered, remote-controlled delivery of oligonucleotides on demand, for research and therapeutic purposes. Here we investigate the light-triggered release of DNA from two types of nanoparticle substrates: Au nanoshells and Au nanorods.…
A hybrid chemically converted graphene nanosheet/Ni 2+ /Al 3+ layered double-hydroxide (GNS/LDH) composite for supercapacitor material has been fabricated by a hydrothermal method. Scanning electron microscopy and transmission electron microscopy results reveal that Ni 2+ /Al 3+ LDH platelets homogeneously grew onto t…
Hydrophilic flower-like CuS superstructures synthesized by a hydrothermal route can serve as an efficient 980 nm laser-driven photothermal agent for ablation of cancer cells, because the CuS superstructures exhibit greatly enhanced photothermal effects upon irradiation by a 980 nm laser. This finding demonstrates the…
We have characterized UFe 2+ x films prepared by sputter deposition onto fused silica (SiO 2 ) and Si(111) substrates with the film thickness ranging from 75 nm to 900 nm. The X-ray diffraction results showed an amorphous character of the deposited material. Some of the films showed in addition a pattern of highly tex…
Nanoporous copper (NPC) ribbons with an average pore size of 5~500nm were fabricated by chemical/electrochemical dealloying of Mn55Cu45 alloy. The influence of different kinds of driving forces on Cu atoms surface diffusivity (Ds), which determines the pore sizes of the resultant NPC, was also systematically investiga…
Nanotechnologies promise to contribute significantly to major technological challenges of the upcoming century. Despite profound scientific progress in the last decades, only minor advances have been made in the field of nanomaterial toxicology. The International Team in Nanosafety (TITNT) is an international and mult…