Materials Literature
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The reliability of kinetic Monte Carlo (KMC) simulations depends on accurate transition rates. The self-learning KMC method (Trushin et al 2005 Phys. Rev. B 72 115401) combines the accuracy of rates calculated from a realistic potential with the efficiency of a rate catalog, using a pattern recognition scheme. This wo…
We report on electronic-structure calculations for the pentacene and rubrene crystals, based on experimental crystal geometries measured at different temperatures. The results are in very good agreement with angle-resolved photoelectron spectroscopy data that indicate that the widths of the valence and conduction band…
Light emitting diodes (LEDs) were fabricated using ensembles of free-standing (In,Ga)N/GaN nanowires (NWs) grown on Si substrates in the self-induced growth mode by molecular beam epitaxy. Electron beam induced current analysis, cathodoluminescence as well as biased $μ$-photoluminescence spectroscopy, transmission ele…
A controversy exists among literature reports of constraints on elastic constants. In particular, it has been reported that embedded atom method (EAM) potentials generally impose three constraints on elastic constants of crystals that are inconsistent with experiments. However, it can be shown that some EAM potentials…
The (1− x ) ( Bi 0.5 Na 0.5 ) TiO 3 − x Ba ( Al 0.5 Ta 0.5 ) O 3 ((1− x ) BNT ‐ x BAT ) lead‐free piezoceramics was fabricated using a conventional solid‐state reaction method. The temperature and composition‐dependent strain behavior, dielectric, ferroelectric (FE), piezoelectric, and pyroelectric properties have bee…
( Ba 1− x Ca x )( Ti 0.92 Sn 0.08) O 3 ( x = 0.00–0.06 mol) ceramics with a high relative density over 96% were prepared by a conventional sintering method at 1480°C. At room temperature, a polymorphic phase transition from orthorhombic phase to tetragonal phase was confirmed by the XRD patterns in the composition ran…
Using chemical synthesis, researchers can produce noble metal nanowires with highly regular, crystalline properties unachievable by alternative, top-down nanofabrication methods. Sitting at the intersection of nanochemistry and nanooptics, noble metal nanowires have generated intense and growing research interest. The…
In various practical applications, nanomaterials typically have functionalized surfaces. Yet, the studies of toxicity and antibacterial activity of functionalized nanoparticles are scarce. We investigated the effect of surface modifications on antibacterial activity of ZnO under ambient illumination, and we found that…
Graphene has enormous potential as a unique molecular barrier material with atomic layer thickness, enabling new types of membranes for separation and manipulation. However, the conventional analysis of diffusive transport through a membrane fails in the case of single layer graphene (SLG) and other 2D atomically thin…
The fabrication of nanostructured substrates with precisely controlled geometries and arrangements plays an important role in studies of surface-enhanced Raman scattering (SERS). Here, we present two processes based on electron-beam lithography to fabricate gold nanostructures for SERS. One process involves making use…
Early diagnosis and treatment of melanoma are essential to minimizing morbidity and mortality. The presence of lymph node metastases is a vital prognostic predictor, and accurate identification by imaging has important implications for disease staging, prognosis, and clinical outcome. Sentinel lymph node (SLN) mapping…
Anisotropic Nd(2) Fe(14) B/Fe(67) Co(33) nanocomposite thin films are successfully fabricated. The multilayer composite films comprise Nd-rich shell-enveloped Nd(2) Fe(14) B grains and a Fe(67) Co(33) phase. The strong (001) texture of the Nd(2) Fe(14) B grains and the presence of exchange-coupled Fe(67) Co(33) lead t…
Poly(N-substituted glycine) "peptoids" are a class of peptidomimetic molecules receiving significant interest as engineered biomolecules. Sarcosine (i.e., poly(N-methyl glycine)) has the simplest side chain chemical structure of this family. In this Article, we demonstrate that surface-grafted polysarcosine (PSAR) bru…
The chain sequence of a poly(styrene-co-methyl acrylate) copolymer is designed to form a V-shaped gradient sequence via controlled/living radical emulsion copolymerization. This specially designed chain sequence gives this common copolymer the capacity of multishape memory. The copolymer can sequentially recover to it…
Here we construct mechanically flexible and optically transparent thin film solid state supercapacitors by assembling nano-engineered carbon electrodes, prepared in porous templates, with morphology of interconnected arrays of complex shapes and porosity. The highly textured graphitic films act as electrode and curren…
The polymer nanocomposite used in this work comprises elastomer poly(dimethylsiloxane) (PDMS) as a polymer matrix and multi-walled carbon nanotubes (MWCNTs) as a conductive nanofiller. To achieve uniform distribution of carbon nanotubes within the polymer, an optimized dispersion process was developed, featuring a str…
Here we develop a general approach to calculating the energy spectrum and the wave functions of the low-lying magnetic levels of a lanthanoid ion submitted to the crystal field created by the surrounding ligands. This model allows us to propose general criteria for the rational design of new mononuclear lanthanoid com…
A flexible, all reduced graphene oxide non-volatile memory device, with lightly reduced GO as an active layer and highly reduced GO as both top and bottom electrodes, is fabricated by a full-solution process and its performance is characterized. It provides a convenient method to construct other all-carbon devices.
Colloidal superparticles are size- and shape-controlled nanoparticle assemblies in the form of colloidal particles. Because these superparticles can exhibit physical and chemical properties different from both individual nanoparticles and their bulk assemblies, the development of superparticle synthesis has attracted…
Small (6-10 nm) functionalized gold nanoparticles (AuNPs) featuring different, well-defined surface charges were used to probe the uptake and distribution of nanomaterials in terrestrial plants, including rice, radish, pumpkin, and perennial ryegrass. Exposure of the AuNPs to plant seedlings under hydroponic condition…