Materials Literature
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We study the spontaneous nucleation and crystallization of linear and cyclic chains of flexibly connected hard spheres using extensive molecular dynamics simulations. To this end, we present a novel event-driven molecular dynamics simulation method, which is easy to implement and very efficient. We find that the nucle…
We develop a model for charge trapping on conjugated polymer chains using a continuous representation of the polymer. By constraining the motion to along the chain, we find that kinks along the chain serve as points of attraction and can induce localization and spontaneous buckling of the chain. We implement this in a…
An investigation of U2Ti, a potentially safe and heavy metal-based storage material for radioactive tritium for fusion reactor, has been performed using pseudopotential density functional theory. The analysis of the elastic constants and other moduli calculated for the first time shows large anisotropy on elasticity a…
The growth process of single layer graphene with and without substrate is investigated using ab initio, finite temperature molecular dynamic calculations within density functional theory. An understanding of the epitaxial graphene growth mechanisms in the atomic level is provided by exploring the transient stages whic…
Angle-resolved photoemission spectroscopy at a temperature of 1 K is used to determine the wave-vector dependence of the spectral gap and band renormalization due to electron-phonon coupling in the layered charge-density-wave superconductor $2H$-NbSe${}_{2}$. The measured gap size and coupling parameter are Fermi-surf…
We demonstrate a novel epitaxial layer-by-layer growth on upconverting NaYF(4) nanocrystals (NCs) utilizing Ostwald ripening dynamics tunable both in thickness and composition. Injection of small sacrificial NCs (SNCs) as shell precursors into larger core NCs results in the rapid dissolution of the SNCs and their depo…
Abstract Transition metal oxides are capable of a wide range of work functions. This quality allows them to be used in many applications that involve charge transfer with adsorbed molecules, for example as heterogeneous catalysts, as charge‐injection layers in organic electronics, and as electrodes in fuel cells. Chem…
Abstract A facile two‐step method is developed for large‐scale growth of ultrathin mesoporous nickel cobaltite (NiCo 2 O 4 ) nanosheets on conductive nickel foam with robust adhesion as a high‐performance electrode for electrochemical capacitors. The synthesis involves the co‐electrodeposition of a bimetallic (Ni, Co)…
The new mineral reynoldsite, Pb 2 Mn 4+ 2 O 5 (CrO 4 ), occurs at the Blue Bell claims, near Baker, San Bernardino County, California, U.S.A., and at the Red Lead mine, Dundas, Tasmania, Australia. At the Blue Bell claims, reynoldsite occurs in subparallel growths and divergent sprays of thin prisms with a square cros…
Abstract One major challenge in noninvasive mapping of various molecular targets is their inherently low in vivo concentration coupled with the insensitivity of imaging modalities, such as the widely used magnetic resonance imaging (MRI). Development of agents with high sensitivity and specificity is of paramount impo…
Abstract Numerous water‐initiated polymerizations of ϵCL are conducted in bulk with variation of catalyst, reaction time, and temperature. The conversions are determined by 1 H NMR and the molar masses by SEC measurements. For polymerizations at 100 °C, Bi triflate and Hf triflate are used as catalysts, whereas at 140…
Abstract The site‐specific fabrication of metal‐incorporated graphitic microporous carbon terminated by highly ordered multilayer graphene walls via an ambient‐temperature vacuum‐based process is presented for the first time. Sputtering of Cr nano‐particles on the ultrathin amorphous carbon film manifests a dual effec…
Molybdenum bismuth telluride thin films have been prepared on clean glass substrate using arrested precipitation technique which is based on self-organized growth process. As deposited MoBi2Te5 thin films were dried in constant temperature oven at 110°C and further characterized for their optical, structural, morpholo…
Leucostaurite is a new nanoporous lead borate discovered in samples from the Mina Asunción, Sierra Gorda, Atacama Desert, Chile, preserved since 1912 in the collections of the Natural History Museum of Bern, Switzerland. Leucostaurite formed via the oxidation of base-metal ores in the presence of B-rich brines. The mi…
Abstract Polymer‐based electroactive materials have been studied and applied in energy storage systems as a valid replacement for transition metal oxides. As early as 1999, Hass et al. proposed an interesting concept on the possible incorporation of both charge storage and overcharge protection functionality into a si…
Abstract High‐energy ball milling (HEBM) was performed before melt mixing to fabricate a novel blend containing 85 wt % of a high density polyethylene (HDPE) and 15 wt % of a maize starch, using neither compatibilizer nor plasticizer materials in the blend formulation. Scanning electron microscopy and rheometry result…
Abstract A series of novel ternary‐copolymer of fluorinated polyimides (PIs) were prepared from 1,4‐bis(4‐amino‐2‐trifluoromethylphenoxy)benzene (pBATB), commercially available aromatic dianhydrides, and aromatic diamines via a conventional two‐step thermal or chemical imidization method. The structures of all the obt…
The structural and electrical properties of <TEX>$(1-x)Ba(Sm_{1/2}Nb_{1/2})O_3-xBaTiO_3$</TEX>; (<TEX>$0{\leq}x{\leq}1$</TEX>) ceramics were prepared by conventional ceramic technique at <TEX>$1375^{\circ}C$</TEX>/7 h in air atmosphere. The crystal symmetry, space group and unit cell dimensions were derived from the X…
We report on the growth of Co -doped ZnO nanowires (NWs) on Si substrate using a self-catalytic vapor deposition method from a Co -doped ZnO nanopowder source and study its structural, optical and magnetic properties for the as-grown and rapid thermal annealed samples. Co (5%)-doped ZnO ( ZnCoO ) nanoparticles (NPs) a…
In this study, we investigated the etching characteristics of ITO thin films and the effects of inert gases added to <TEX>$Cl_2/BCl_3$</TEX> inductivity coupled plasma. The maximum etch rate of ITO thin film was 130.0 nm/min upon the addition of Ar (6 sccm) to the <TEX>$Cl_2/BCl_3$</TEX> (4:16 sccm) plasma, which was…