Materials Literature
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Boronyl (BO) is a monovalent σ radical with a robust B≡O triple bond. Although BO/BO(-) are isovalent to CN/CN(-) and CO, the chemistry of boronyl has remained relatively unknown until recently, whereas CN/CN(-) and CO are well-known inorganic ligands. Further analogy may be established for BO versus H or Au ligands,…
We have computed the correlated electronic structure of FeSe and its dependence on the ${A}_{1g}$ mode versus compression. Using the self-consistent density functional theory-dynamical mean field theory (DFT-DMFT) with continuous time quantum Monte Carlo, we find that there is greatly enhanced coupling between some co…
Aluminate garnet phosphors Ca2GdZr2(AlO4)3:Ce(3+) (CGZA:Ce(3+)) for solid-state white lighting sources are reported. The crystal structure and Mulliken bonding population of the CGZA:Ce(3+) have been analyzed. The larger 5d ((2)D) barycenter shift εc and smaller phenomenological parameter 10Dq of Ce(3+) in CGZA are re…
A simple and efficient route to gold–polymer nanoparticle composites is described. Our versatile synthetic route exerts facile control over polymer nanoparticle morphology, including micelles, rod-like structures, and vesicles, all easily attainable from a single polymerization taken to different monomer conversions.…
Twinning is generally considered to be the primary deformation mechanism for hexagonal close-packed (hcp) metals due to their limited slip systems. Recent microcompression experiments point to strong size effects indicating that pyramidal slips can dominate in deformation under compression. We present analysis on the…
In this article, the rapid synthesis of colloidal, spherical polymer resins via enhanced copolymerization and polycondensation of resorcinol with formaldehyde is presented. The ultrasound-mediated technique assembles perfectly spherical resins in less than 5 min due to generated active species and free radicals produc…
We study the geometrically nonlinear behavior of uniformly compressed tensegrity prisms, through fully elastic and rigid--elastic models. The presented models predict a variety of mechanical behaviors in the regime of large displacements, including an extreme stiffening-type response, already known in the literature,…
In the search for phase change materials (PCM) that may rival traditional random access memory, a complete understanding of the amorphous to crystalline phase transition is required. For the well-known Ge2Sb2Te5 (GST) and GeTe (GT) chalcogenides, which display nucleation and growth dominated crystallization kinetics,…
We report a high-pressure experimental and theoretical investigation of the structural properties of zircon-type HoVO4. Angle-dispersive x-ray diffraction measurements were carried out under quasi-hydrostatic and partial non-hydrostatic conditions up to 28 and 23.7 GPa, respectively. In the first case, an irreversible…
Recent reports on the fabrication of phosphorene, i.e., mono- or few-layer black phosphorus, have raised exciting prospects of an outstanding two-dimensional (2D) material that exhibits excellent properties for nanodevice applications. Here we study by first-principles calculations the adsorption of CO, CO2, NH3, NO a…
We present a nano‐W dispersed polymer composite whose gamma attenuation is greatly enhanced. In situ pulverization and simultaneous encapsulation of polyethylene (PE) onto the nano‐W particles was successfully performed by ball milling. Adhesive encapsulation of PE was observed by means of interstitial diffusion of at…
We demonstrate the feasibility of superhydrophobic aligned nanocones as energy-effective frost-free coatings. Exemplified by Co(OH)2 nanocone films with condensed microdrop self-removal ability, their edge and whole-surface frosting time can be delayed to about 10 and 150 min, respectively. By using a Teflon gasket to…
Recent experimental results have demonstrated the ability of monolayer ${\mathrm{MoS}}_{2}$ to efficiently generate second harmonic fields with susceptibilities between 0.1 and 100 nm/V. However, few theoretical calculations exist with which to interpret these findings. In particular, it is of interest to theoreticall…
Nanotechnology exploits the enhanced reactivity of materials at the atomic scale to improve various applications for humankind. In agriculture, potential nanotechnology applications include crop protection and fertilization. However, such benefits could come with risks for the environment: non-target plants, plant-ben…
Although protein adsorption to surface is a common phenomenon, investigation of the process is challenging due to the complexity of the interplay between external factors, protein and surface properties. Therefore experimental approaches have to measure the properties of adsorbed protein layers with high accuracy in o…
Ferrimagnetic inorganic nanorods have been used as building blocks to construct liquid crystals with optical properties that can be instantly and reversibly controlled by manipulating the nanorod orientation using considerably weak external magnetic fields (1 mT). Under an alternating magnetic field, they exhibit an o…
Supramolecular assemblies of amphiphilic block copolymers having polypeptide segments offer significant advantages for tailoring spatial arrangement based on secondary structures in their optically active backbones. Here, we demonstrated the critical effect of α-helix bundles in cisplatin-conjugated poly(L- (or D-)glu…
Cellulose nanocrytals (CNCs) are predominantly produced using the traditional strong acid hydrolysis process. In most reported studies, the typical CNC yield is low (approximately 30%) despite process optimization. This study investigated the hydrolysis of a bleached kraft eucalyptus pulp using sulfuric acid between 5…
We report a KOH self-templating synthesis of three-dimensional hierarchical porous carbon using resol as the precursor and KOH as both the template and activating agent. The resulting resol-derived porous carbon (RPC) exhibits a high surface area (up to 2700 m2 g−1) and well-interconnected macropores with micropores a…
Two α-MnO2 crystals with caddice-clew-like and urchin-like morphologies are prepared by the hydrothermal method, and their structure and electrochemical performance are characterized by scanning electron microscope (SEM), X-ray diffraction (XRD), galvanostatic cell cycling, cyclic voltammetry, and electrochemical impe…