Materials Literature
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Quantum posts are assembled by epitaxial growth of closely spaced quantum dot layers, modulating the composition of a semiconductor alloy, typically InGaAs. In contrast with most self-assembled nanostructures, the height of quantum posts can be controlled with nanometer precision, up to a maximum value limited by the…
We present a method for the calculation of the electronic structure of systems that contain tens of thousands of atoms. The method is based on the division of the system into mutually overlapping fragments and the representation of the single-particle Hamiltonian in the basis of eigenstates of these fragments. In prac…
The magnetic microstructure and domain wall distribution of antiferromagnetic $\ensuremath{\alpha}\mathrm{\text{\ensuremath{-}}}{\mathrm{Fe}}_{2}{\mathrm{O}}_{3}$ epitaxial layers is determined by statistical image analyses. Using dichroic spectromicroscopy images, we demonstrate that the domain structure is statistic…
Using DFT calculations, we present a thorough study of the quantum size effects on the stability of freestanding metal atom wires. Our systems include Na, Ag, Au, In, Ga and Pb atom wires, i.e. $s$, $sd$, and $sp$ electron prototypes. We found that the total energy always oscillates with the wire length, which clearly…
Sulci are localized furrows on the surface of soft materials that form by a compression-induced instability. We unfold this instability by breaking its natural scale and translation invariance, and compute a limiting bifurcation diagram for sulcfication showing that it is a scale-free, subcritical nonlinear instabilit…
Fog formation on transparent substrates constitutes a major challenge in several optical applications requiring excellent light transmission characteristics. Anti-fog coatings are hydrophilic, enabling water to spread uniformly on the surface rather than form dispersed droplets. Despite the development of several anti…
A series of six new 2,2'-bithiophene-functionalized diketopyrrolopyrrole (DPP) dyes 7a-f bearing different electron-donating and electron-withdrawing substituents at the terminal thiophene units was synthesized by palladium-catalyzed cross-coupling reactions. The to date unknown diiodinated DPP 2 and the corresponding…
First-principles total energy calculations are performed to investigate the energetics and electronic structures of graphene adsorbed on both an oxygen-terminated SiO2 (0001) surface and a fully hydroxylated SiO2 (0001) surface. We find that there are several stable adsorption sites for graphene on both O-terminated a…
From the point of better biocompatibility and sustainability, biobased shape memory polymers (SMPs) are highly desired. We used 1,3-propanediol, sebacic acid, and itaconic acid, which have been industrially produced via fermentation or extraction with large quantities as the main raw materials for the synthesis of bio…
Crystal structure of ferroelectric silver niobate AgNbO3 was determined (Pmc21) by convergent beam electron, electron, neutron, and synchrotron diffraction techniques and first-principles calculations. The atomic displacements along the c axis in Pmc21 AgNbO3 are responsible for the spontaneous polarization, ferroelec…
Multiple exciton recombination (MER) and multiple exciton generation (MEG) are two of the main processes for assessing the usefulness of quantum dots (QDs) in photovoltaic devices. Recent experiments, however, have shown that a firm understanding of both processes is far from well established. By performing surface-de…
ADVERTISEMENT RETURN TO ISSUEPREVReviewNEXTCrystalline Architectures as Templates of Relevance to the Origins of HomochiralityIsabelle Weissbuch and Meir Lahav*View Author Information Department of Materials and Interfaces, The Weizmann Institute of Science, Rehovot, Israel, 76100*E-mail: [email protected]Cite this: C…
Conventional fog-harvesting mechanisms are effectively pseudo-2D surface phenomena in terms of water droplet-plant interactions. In the case of the Cotula fallax plant, a unique hierarchical 3D arrangement formed by its leaves and the fine hairs covering them has been found to underpin the collection and retention of…
We report an investigation of the temperature- and doping-dependent thermoelectric behavior of $n$-type ZnO. The results are based on a combination of experimental data from the literature and calculated transport functions obtained from Boltzmann transport theory applied to the first-principles electronic structure.…
The ring-opening polymerization of δ-valerolactone (δ-VL) and ε-caprolactone (ε-CL) using 3-phenyl-1-propanol (PPA) as the initiator and diphenyl phosphate (DPP) as the catalyst in toluene at room temperature with the [δ-VL or ε-CL] 0 /[PPA] 0 /[DPP] ratio of 50/1/1 homogeneously proceeded to afford poly(δ-valerolacto…
Organic electronic devices that use graphene electrodes have received considerable attention because graphene is regarded as an ideal candidate electrode material. Transfer and lithographic processes during fabrication of patterned graphene electrodes typically leave polymer residues on the graphene surfaces. However,…
With the increasing utilization of nanomaterials, zinc oxide nanoparticles (ZnO NPs) have been reported to induce adverse effects on human health and aquatic organisms. However, the potential impacts of ZnO NPs on wastewater nitrogen and phosphorus removal with an activated sludge process are unknown. In this paper, s…
First-principles calculations are presented for the layered perovskite Ca3Mn2O7. The results reveal a rich set of coupled structural, magnetic, and polar domains in which oxygen octahedron rotations induce ferroelectricity, magnetoelectricity, and weak ferromagnetism. The key point is that the rotation distortion is a…
With the advent of atomically thin and flat layers of conducting materials such as graphene, new designs for thin film energy storage devices with good performance have become possible. Here, we report an "in-plane" fabrication approach for ultrathin supercapacitors based on electrodes comprised of pristine graphene a…
SiC partikul takviyeli aluminyum metal matrisli kompozitler ileri teknolojik malzemelerdir. Yuksek mekanik dayanim, rijitlik ve yuksek asinma direnci gibi ustun ozelliklerinden dolayi, otomotiv, ucak, uzay, tasit, tarim ve yapi uretim endustrilerinde yaygin olarak kullanilmaktadir. Ayrica, kullanimi ve uygulamalarinin…