Materials Literature
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We investigate the conditions under which single layer metamaterials may be described by bulk optical constants. Terahertz time domain spectroscopy is utilized to investigate two types of geometries, both with two different sizes of embedding dielectric---cubic and tetragonal unit cells. The tetragonal metamaterials a…
A glass with the composition BaO·Al 2 O 3 ·B 2 O 3 was thermally annealed at temperatures from 700 to 780 °C for 1–8 h. This resulted in the crystallization of [0001]-oriented rhombohedral BaAl 2 B 2 O 7 at the surface of the glass. The crystals grow fastest perpendicular to their c -axes (parallel to the surface) and…
Abstract The thermodynamic stability of the [HCB 11 Cl 11 ] – salts of the cationic one‐electron oxidizers [NO] + and [O 2 ] + was estimated by Born–Haber–Fajans cycles based on quantum‐chemical calculations and lattice enthalpy estimations. [NO][HCB 11 Cl 11 ] is predicted to be a stable compound, whereas [O 2 ][HCB…
Graphene nanoflakes provide a range of opportunities for engineering graphene for future applications, due to the large number of configurational degrees of freedom associated with the addition of different types of corners and edge states in the structure. Since these materials can, in principle, span the molecular t…
Energy and electron transfer from frameworks of nanoporous or mesostructured materials to guest species in the nanochannels have been attracting much attention because of their increasing availability for the design and construction of solid photofunctional systems, such as luminescent materials, photovoltaic devices,…
Density functional theory calculations and theoretical representations of the density of states (DOS) were undertaken in order to understand the electronic properties of silicon nanocrystals (Si-nc), when partially passivated with Cl and F. Effects relating to cluster size (Si 29, Si 35, and Si 87 ), type, and percent…
Here we report the first unambiguous identification of the chemical structures of the precursor species involving metal (Au and Ag) ions and Te-containing ligands in the Brust-Schiffrin syntheses of the respective metal nanoparticles, through which the different reaction pathways involved are delineated.
Sphere segment void (SSV) arrays allow the reproducible engineering of plasmon-polariton modes from the near-infrared to the ultraviolet through the tuning of the void height and diameter. The wavelength dependence of surface-enhanced Raman scattering (SERS) can then in principle be controlled by selecting these param…
A method combining hydrogen passivation and ultrasonication was developed for the first time to disperse multi-walled carbon nanotubes (MWCNTs) in ethanol solution and epoxy resin. Excellent dispersion of MWCNTs was achieved in both media. Three-point bending tests of the MWCNT/epoxy nanocomposites revealed a remarkab…
A sub-10 nm, high-density, periodic silicon-nanodisc (Si-ND) array has been fabricated using a new top-down process, which involves a 2D array bio-template etching mask made of Listeria-Dps with a 4.5 nm diameter iron oxide core and damage-free neutral-beam etching (Si-ND diameter: 6.4 nm). An Si-ND array with an SiO(…
Abstract Graphene oxide (GO) is derived from oxidization of natural graphite and contains many active groups. These active groups make GO a potential compatibilizer for polymer blends or coupling agent for polymer composites. In this work, a novel core‐shell structured hybrid submicroparticles of graphene oxide‐encaps…
Using atomistic quantum simulation based on a tight binding model, we have investigated the transport characteristics of graphene nanomesh-based devices and evaluated the possibilities of observing negative differential conductance. It is shown that by taking advantage of bandgap opening in the graphene nanomesh latti…
Mg-Al-CO3 LDH was synthetized, using co-, and was used in flame-retardant paper as filler. The crystallizations, granularities of Mg-Al LDH, and characters of flame-retardant papers were investigated through XRD, FT-IR, TEM, TG-DTA, and SEM techniques. The results indicated that Mg-Al hydrotalcites were layered hexago…
The electrochemistry, spectroscopy, and electrogenerated chemiluminescence (ECL) of a variety of 2- and 4-fold anthracene-functionalized tetraarylbimesityls, AB1-4, were investigated. AB1-4 compounds contain a bimesityl core with 2- and 4-fold anthracene functionalities, which generate a rigid D(2d)-symmetric structur…
Modifizierte Sichtweise: Ein bioinspirierter Ansatz wurde zur maßgeschneiderten Kristallisation von Silicalit-1 genutzt. Wachstumsmodifikatoren (ZGMs), die mittels molekularer Erkennung an spezifische Kristallflächen binden, erzeugten drastisch verschiedene Kristallmorphologien der Zeolithe. Der Ansatz bietet eine eff…
We use molecular dynamics (MD) with the DREIDING force field to characterize the ultimate mechanical response of amorphous poly(methyl methacrylate). We characterize how volumetric and deviatoric strains contribute to yield for a wide range of loading conditions from pure deviatoric, volume-conserving cases to isotrop…
By performing the first-principles simulation of electron-ion dynamics based on the time-dependent density-functional theory, we propose a way to produce graphene from graphene oxides by means of the laser-induced reduction without using chemical species. Epoxy and hydroxyl groups on graphene sheets can be completely…
Ru(II) complexes with 5-(3-thienyl)-4,6-dipyrrin (3-TDP), containing 2,2'-bipyridine (bpy) or 4,4'-bis(methoxycarbonyl)-2,2'-bipyridine (dcmb) as coligands, have been prepared and extensively characterized. Crystal structure determination of [Ru(bpy)(2)(3-TDP)]PF(6) (1a) and [Ru(bpy)(3-TDP)(2)] (2) reveals that the 3-…
We fabricated planar PbS quantum dot devices with ohmic and Schottky type electrodes and characterized them using scanning photocurrent and photovoltage microscopies. The microscopy techniques used in this investigation allow for interrogation of the lateral depletion width and related photovoltaic properties in the p…
Research on thermoelectric (TE) materials has been focused on their transport properties in order to maximize their overall performance. Mechanical properties, which are crucial for system reliability, are often overlooked. The recent development of a new class of high-performance, low-dimension thermoelectric materia…