Materials Literature
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Due to the intrinsic connection between the mechanical properties of carbon nanotubes and their long-ranged interactions, an accurate description for both covalent and van der Waals forces is desired in nanomechanical studies. A tight-binding treatment offers an accurate description for the covalent bonding but fails…
While there have been numerous reports on the electromechanical actuation of carbon nanotubes (CNTs), devices based on the photomechanical actuation of CNTs have been elusive until now. In this paper, we report the integration of single-wall carbon nanotube ensembles into micro-mechanical systems to realize a new carb…
The conversion of methane to methanol by dichloro(η 2 -{2,2‘-bipyrimidyl})platinum(II) [Pt(Bpym)Cl 2 ] (Catalytica) and Pt(NH 3 ) 2 Cl 2 (cisplatin) [ Science 1998, 280, 560] has been studied using hybrid density functional theory in conjunction with the conductor-like polarizable continuum solvent model (CPCM). We ha…
To elucidate the structural features of humic acids (HAs) that potentially contribute to enhancing the activity of a tetra(p-sulfonatophenyl)porphineiron(III) (Fe(III)-TPPS) catalyst, the effects of the chemical properties of molecular weight fractionated HAs on the catalytic activity of Fe(III)-TPPS were investigated…
A large scale nest array of multi-walled carbon nanotubes (NACNT) was grown on a silicon nanoporous pillar array (Si-NPA) by thermal chemical vapour deposition. Field emission measurements showed that a current density of 6.8 mA cm −2 was obtained at an electric field of 3.1 V µm −1 , with a turn-on field of 0.56 V µm…
Neat reaction between HgI2 and 1-methyl-2-(phenylazo)imidazole (Pai-Me) under microwave irradiation has isolated a novel compound whose structure shows intercalated HgI2 in the layers of Pai-Me. They exist independently in interpenetrated arrays. In a solution phase study, the same reaction has synthesized an iodo-bri…
In the present study, single crystals of benzimidazole (BMZ) possessing excellent nonlinear optical properties were grown for the first time by the recently invented Sankaranarayanan−Ramasamy (SR) method at 25 °C using a constant temperature bath. High-resolution X-ray diffraction (HRXRD) analysis indicates that the c…
Virtual tensile tests of nanocrystalline nickel wires of initial $5\phantom{\rule{0.3em}{0ex}}\mathrm{nm}$ grain size were simulated at strain rates varying from $3\ifmmode\times\else\texttimes\fi{}{10}^{7}\phantom{\rule{0.3em}{0ex}}{\mathrm{s}}^{\ensuremath{-}1}$ to $1\ifmmode\times\else\texttimes\fi{}{10}^{9}\phanto…
Dynamic structural changes of Ag in Ag-MFI upon H 2 reduction and subsequent reoxidation treatments were investigated by various characterization methods. Results of in situ time-resolved spectroscopies, UV−vis and quick XAFS, at 573 K show that Ag + ions at a cation-exchange site of preoxidized Ag-MFI are reduced by…
We use molecular dynamics computer simulations to investigate the relaxation dynamics of a simple model for a colloidal gel at a low volume fraction. We find that due to the presence of the open spanning network this dynamics shows at low temperature a nontrivial dependence on the wave vector which is very different f…
In recent years, scientists have special interests in biovaterite found in freshwater cultured lackluster pearls in south China. Vaterite is an unstable crystalline form of calcium carbonate and rare in nature. In this work, we first reported that vaterite crystals in freshwater lackluster pearls have a similar hibera…
The enzymatically catalyzed polymerization of 3,4-ethylenedioxythiophene in the presence of polystyrenesulfonate is introduced. This is the first time that an enzymatically catalyzed poly(3,4-ethylenedioxythiophene) (PEDOT) is reported. Horseradish peroxidase enzyme was used as a catalyst for the polymerization proces…
Reversible storage of hydrogen still remains one of the biggest challenges for widespread use of hydrogen as a fuel. Light metal hydrides have high hydrogen content but are typically too thermodynamically stable. Destabilization of metal hydrides is an effective way to improve their thermodynamics. First principles ca…
We calculated the minimal longitudinal conductivity in prefect single-layer and bilayer graphene by extending the two methods developed for Dirac fermion gas by A. W. W. Ludwig et al. in Phys. Rev. B 50, 7526 (1994). Using the Kubo formula which was originally applied for spintronic systems we obtain ${\ensuremath{\si…
Localization of newly synthesized poly(3hydroxybutyrate) (PHB) granules was determined by confocal laser scanning fluorescence microscopy of Nile red-stained cells and by transmission electron microscopy (TEM). PHB granules of Nile red-stained living cells of Caryophanon latum at the early stages of PHB accumulation w…
We extended the self-assembly concepts of macromolecules in solutions to create a variety of unique nanosized polymeric core−shell nanoparticles by means which allow scale-up for industrial production. This paper describes the synthesis methods and the mechanisms governing the design of structural features required fo…
The compositions of the grains and the grain boundaries in CaCu 3 Ti 4 O 12 (CCTO) have been characterized by a high‐resolution field emission transmission electron microscope equipped with a high‐angle annular‐dark‐field detector and energy‐dispersive X‐ray spectroscopy (EDS). The excess ions and their clusters at gr…
We analyze stress transmission in wet granular media in the pendular state by means of three-dimensional molecular dynamics simulations. We show that the tensile action of capillary bonds induces a self-stressed particle network organized in two percolating "phases" of positive and negative particle pressures. Various…
We show that a recently predicted layered phase of lithium monoboride, Li2B2, combines the key mechanism for strong electron-phonon coupling in MgB2 (i.e., interaction of covalent B sigma bands with B bond-stretching modes) with the dominant coupling mechanism in CaC6 (i.e., interaction of free-electron-like interlaye…
A facile L-cysteine-assisted route was designed for the selectively controlled synthesis of 1D and novel, interesting 3D CdS spherical nanostructures constructed from CdS nanorods (or nanopolypods) in a binary solution. By controlling reaction conditions such as the molar ratio between Cd(OAc)2 and L-cysteine and the…