Materials Literature
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A major obstacle in the development of highly sensitive electrochemical biosensors is the issue of electrode fouling due to non-specific adsorption of biomolecules on the electrode/sensor surface. The efficacy of such systems is also limited by the need for high densities of immobilized bioactive molecules on the sens…
The geometric, electronic and magnetic properties of the three metallic cobalt phases: hcp(alpha), fcc(beta), and epsilon(epsilon) have been theoretically studied using periodic density functional calculations with generalized gradient approximation (GGA) and plane wave basis set. These results have been compared with…
We show both theoretical and experimental evidences of the appearance of ferromagnetism in MgO thin films. First-principles calculations allow predicting the possibility of the formation of a local moment in MgO, provided the existence of Mg vacancies which create holes on acceptor levels near the $\text{O}\text{ }2p$…
The functionalization of magnetite (Fe(3) O(4) ) nanoparticles with dopamine-derived clickable biomimetic anchors is reported. Herein, an alkyne-modified catechol-derivative is employed as the anchor, as i) the catechol-functional anchor groups possess irreversible covalent binding affinity to Fe(3) O(4) nanoparticles…
Local structure of ${\text{FeSe}}_{1\ensuremath{-}x}{\text{Te}}_{x}$ has been studied by extended x-ray absorption fine-structure (EXAFS) measurements as a function of temperature. Combination of Se and $\text{Fe}\text{ }K$ edge EXAFS has permitted to quantify the local interatomic distances and their mean-square rela…
This work reports the coaxial electrospinning of poly(vinylidene fluoride) (PVDF)-Teflon amorphous fluoropolymer (AF) and Teflon AF-PVDF core-sheath nanofiber mats yielding superhydrophobic properties. The coaxial electrospinning configuration allows for the electrospinning of Teflon AF, a nonelectrospinnable polymer,…
The magnetism of a Cu-phthalocyanine (CuPc) monolayer on Ag(100) was investigated using x-ray magnetic circular dichroism (XMCD) and ligand-field multiplet calculations. Contrary to other metal-Pc adsorbed on metals, we show that the local CuPc moment survives the interaction with the electronic states of the substrat…
Quantum molecular dynamic simulations are introduced to study the dynamical, electrical, and optical properties of carbon dioxide under dynamic compressions. The principal Hugoniot derived from the calculated equation of states is demonstrated to be well accordant with experimental results. Molecular dissociation and…
We have computed the adsorption of Krypton in a closed single-walled carbon nanotube using the method of Grand Canonical Monte Carlo. Our results indicate evidence of an incommensurate solid formed at high pressure and low temperature (T<85K), before the formation of a second layer. The solid melts above that temperat…
Products based on nanotechnology are rapidly emerging in the marketplace, sometimes with little notice to consumers of their nanotechnology pedigree. This wide variety of nanotechnology products will result (in some cases) in unintentional human exposure to purposely engineered nanoscale materials via the dermal, inha…
The use of poly(lactide)-based materials is, in part, limited by their physical and mechanical properties. This article reviews the methods that have been employed to enable enhancement of the materials properties through synthetic manipulation of the polymer structure including block copolymer synthesis and modificat…
The spin-Seebeck effect was recently discovered in a metallic ferromagnet and consists of a thermally generated spin distribution that is electrically measured utilizing the inverse spin Hall effect. Here this effect is reproduced experimentally in a ferromagnetic semiconductor, GaMnAs, which allows for flexible desig…
We report ac magnetic susceptibility and dc magnetization measurements on the superconducting ferromagnet UCoGe (with superconducting and Curie temperatures of $T_{\rm SC} \sim 0.5$~K and $T_{\rm Curie} \sim 2.5$~K, respectively). In the normal, ferromagnetic state ($T_{\rm SC} < T < T_{\rm Curie}$), the magnetization…
The structural relaxation of pure amorphous silicon (a-Si) and hydrogenated amorphous silicon (a-Si:H) materials, that occurs during thermal annealing experiments, has been analysed by Raman spectroscopy and differential scanning calorimetry. Unlike a-Si, the heat evolved from a-Si:H cannot be explained by relaxation…
We study charge fractionalization in bilayer graphene which is intimately related to its zero modes. In the unbiased case, the valley zero modes occur in pairs rendering it unsuitable for charge fractionalization. A bias plays the role of a bosonic field with nontrivial topology allowing for the exploration of Dirac-l…
Periodically corrugated epitaxial graphene and hexagonal boron nitride $(h\text{-BN})$ on metallic substrates are considered as perspective templates for the self-assembly of nanoparticles arrays. By using first-principles calculations, we determine binding energies and diffusion activation barriers of metal adatoms o…
In a previous paper [Jiao, Stillinger and Torquato, PRE 81, 011105 (2010)], we considered the geometrical ambiguity of pair statistics associated with point configurations. Here we focus on the analogous problem for heterogeneous media (materials). The complex structures of heterogeneous media are usually characterize…
We investigate a magnetization-dependent voltage that appears at the interface between garnets and various metals. The voltage is even in the applied magnetic field and is dependent on the surface roughness and the pressure holding the surfaces together. Large variations in the size, sign and magnetic dependence are o…
We report on a large scale computer simulation study of crystal nucleation in hard spheres. Through a combined analysis of real- and reciprocal-space data, a picture of a two-step crystallization process is supported: First, dense, amorphous clusters form which then act as precursors for the nucleation of well-ordered…
Many unusual behaviors in complex oxides are deeply associated with the spontaneous emergence of microscopic phase separation. Depending on the underlying mechanism, the competing phases can form ordered or random patterns at vastly different length scales. By using a microwave impedance microscope, we observed an ori…