Materials Literature
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Relying on first-principles calculations within density functional theory and on an analytical model for the electronic structure, we present an overview of specific electronic and structural features of polar ultrathin films. MgO(111) unsupported films of finite thickness are chosen as a generic system, in order to e…
Two-dimensional electron gases in semiconductors have found use in applications such as optoelectronics, high-power radio-frequency and magnetoelectronic devices. The ability to grow heterostructures of oxides exhibiting similar effects is a significant step towards the fabrication of all-oxide devices. Here, we give…
We construct an efficient methodology for calculating wormlike chain statistics in arbitrary D dimensions over all chain rigidities, from fully rigid to completely flexible. The structure of our exact analytical solution for the end-to-end distribution function for a wormlike chain in arbitrary D dimensions in Fourier…
We discuss the crystallographic and chemical basis of the perovskite family (ABX(3)) of oxides that are used in different thin film applications. Starting with the original structure we extend our scope to several modifications. Basic parameters like the ionic radii, the tolerance factor, the occupation of the oxygen…
The electronic properties of the high spin mononuclear MnII complexes [Mn(tpa)(NCS)2] (1) (tpa=tris-2-picolylamine), [Mn(tBu3-terpy)2](PF6)2 (2) (tBu3-terpy=4,4',4''-tri-tert-butyl-2,2':6',2''-terpyridine) and [Mn(terpy)2](I)2 (3) (terpy=2,2':6',2''-terpyridine) with an N6 coordination sphere have been determined by m…
Thin film transistors (TFTs) of indium oxide (In2O3) and tin oxide (SnO2) were fabricated on SiO2 gate dielectric using reactive evaporation process. Structural investigation of the films revealed that In2O3 films were polycrystalline in nature with preferred (222) orientation and SnO2 films exhibited amorphous nature…
Cooperativity is an emergent many-body phenomenon related to the degree to which elementary entities (particles, molecules, organisms) collectively interact to form larger scale structures. From the standpoint of a formal mean field description of chemical reactions, the cooperativity index m, describing the number of…
Catalyzed growth of carbon nanostructures occurs mainly through two modes, i.e., base growth when the metal nanoparticle remains at the bottom of the nanotube, or when it is lifted by the growing carbon nanostructure due to tip growth. A correct prediction of the dominant growth mode depends on the energy gain due to…
We derive a semiclassical expression for the Green's function in graphene, in which the presence of a semiclassical phase is made apparent. The relationship between this semiclassical phase and the adiabatic Berry phase, usually referred to in this context, is discussed. These phases coincide for the perfectly linear…
Different mechanisms contribute to tritium retention in ITER, amongst which co-deposition with materials from the plasma-facing components is one of the main contributors. A systematic study of the influence of the deposition conditions (substrate temperature, deposition rate, energy of the incident particles) on the…
We examine a phase field crystal model for simple liquid-solid systems consisting of a free energy functional related to the Ramakrishnan-Yussouff free energy of classical density functional theory and an equation of motion capable of describing long-time-scale behavior in the deeply supercooled regime. The thermodyna…
A luminescence mediator: An unusual lanthanide complex, exploiting a dendrimer and a ruthenium(II) complex as ligands, collects ultraviolet and visible light and exhibits luminescence in the near infrared region (see picture, N Blue, Ru brown, O red, C gray). In the absence of the ruthenium component the dendrimer is…
Abstract BACKGROUND: Poly(lactic acid) (PLA), coming from renewable resources, can be used to solve environmental problems. However, PLA has to have a relatively high molecular weight in order to have acceptable mechanical properties as required in many applications. Chain‐extension reaction is an effective method to…
In this article, we have proposed a nanostructured near-ultraviolet photodetector (<400nm) based on the ZnO nanorod/polyfluorene hybrid by solution processes at low temperature. The current-voltage characteristic of the hybrid device demonstrates the typical pn-heterojunction diode behavior, consisting of p-typ…
Abstract In the present paper, we report the successful preparation of high density, well‐defined polymer brushes by RAFT polymerization on silica nanoparticles. Our strategy includes (i) “grafting from” approach for brush formation, (ii) facile click reaction to immobilize RAFT agent, (iii) synthesis of R‐supported c…
Interactions between two precisely defined three-dimensional architectures (DNA and dendrimers) are described. Highly synergetic effects occur, as illustrated in two cases: dendrimers can be used as three-dimensional linkers for oligonucleotides, affording highly sensitive microarrays (biochips), and positively charge…
We demonstrate large increases of the real and imaginary parts of the microwave effective complex permittivity of a series of (piezoelectric)BaTiO3∕(magnetostrictive) Ni nanocomposites under the action of a magnetic field, by about 10% at 2kOe and 300% at 5kOe, respectively. We suggest that the magnetic field dependen…
Carbon nanotubes are one of the excellent materials for studying the many-body effects of excitons because of their unique band structures and large exciton binding energies. We studied exciton population dynamics in single-walled carbon nanotubes using pump-probe transient absorption measurements. The temporal profil…
Collagen fibrils prepared from bovine Achilles tendon have been mechanically tested through nanoindentation by an atomic force microscope using force volume analysis. In ambient conditions where the fibrils are expected to be dehydrated, the elastic modulus was determined to be 1.9±0.5GPa, while under aqueous fluid, i…
We propose a new drive mechanism for carbon nanotube (CNT) motors, based upon the torque generated by a flux of electrons passing through a chiral nanotube. The structure of interest comprises a double-walled CNT, formed from, for example, an achiral outer tube encompassing a chiral inner tube. Through a detailed anal…