Materials Literature
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The relationships between molecular structures and properties of anthraquinone dichroic dyes were studied and dyes with large solubilities and dichroic ratios were developed. The yellow anthraquinone dye behaves as a quencher of the coumarin dye, and the mixture has a large absorption coefficient without fluorescence.…
High-resolution angle-resolved photoemission measurements have been carried out on ${\text{BaFe}}_{2}{\text{As}}_{2}$, a parent compound of the FeAs-based superconductors. In the magnetic ordering state, there is no gap opening observed on the Fermi surface. Instead, dramatic band-structure reorganization occurs acros…
We evaluate the phase diagram of the four-site Kern-Frenkel patchy particle model [Kern, N.; Frenkel, D. J. Chem. Phys. 2003, 118, 9882.], a model representative of particles interacting via short-range orientational interactions, for several values of the interaction range. Similar to what has been found for isotropi…
Polyisoprene (PI)/single-wall carbon nanotube (SWCNT) composites and pure PI have been cross-linked by high-pressure treatment to yield densified elastomeric states. Simultaneously, the SWCNT and cross-linked-induced changes of the thermal conductivity, heat capacity per unit volume, and glass transition were investig…
The solid-liquid interfacial thermal resistance is getting more and more important as various solid-liquid systems are utilized in nanoscale, such as micro electro-mechanical systems/nano electro-mechanical systems (MEMS/NEMS) with liquids and nanoparticle suspension in liquids. The present paper deals with the transp…
Activated carbons are one of promising groups of materials for reversible storage of hydrogen by physisorption. However, the heat of hydrogen adsorption in such materials is relatively low, in the range of about 4-8 kJ/mol, which limits the total amount of hydrogen adsorbed at P=100 bar to approximately 2 wt % at room…
The structural, electronic, and vibrational properties of the free finite carbon chains and those encapsulated inside carbon nanotubes (CNTs) are studied by density functional theory calculations. The end effect and chain symmetry are found to play key roles in deciding the structural characteristics of the free finit…
Absorption spectrum of small nanodiamonds, i.e., diamondoids has been recently measured exhibiting features that are not understood. Previous calculations, even beyond standard density-functional theory (DFT), failed to obtain the experimental optical gaps $({E}_{\text{g}})$ of diamondoids. We show that all-electron t…
An anionic surfactant comprising a hydrophilic poly(ethylene glycol) (PEG) chain, hydrophobic alkyl chain, and polymerizable vinyl group was synthesized as a capping agent of nanoparticles. TiO(2) nanoparticles modified by this surfactant were completely dispersible in various organic solvents with a wide range of pol…
Why is an optimum size present? Titanium dioxide-supported gold nanoparticles (Au/TiO2) show catalytic activity for H2O2 decomposition (kobs) with a maximum at the mean size of 4.6 nm (see graph) as a result of the balance of the active site numbers and the Fermi energy of Au NPs. The H2O2–Au/TiO2 system enables the c…
Difluoroboron β-diketonate−polymer conjugates have remarkable solid-state luminescent properties that are useful in a variety of fields including multiphoton microscopy, cell biology, and tumor hypoxia imaging. Despite the successful applications of these systems, the role of boron in these polymeric materials has not…
Controlling accumulations of unwanted biofilms requires an understanding of the mechanisms that organisms use to interact with submerged substrata. While the substratum properties influencing biofilm formation are well studied, those that may lead to cellular or biofilm detachment are not. Surface-grafted stimuli-resp…
We constructed a cholesteric liquid crystal/polymer network system and studied the aligning effects of the polymer network on the liquid crystal. We stabilized different liquid crystal states by varying the polymer concentration. Using a proper polymer network, we developed a bistable polymer stabilized cholesteric te…
Abstract Surface‐enhanced Raman scattering (SERS) constitutes a spectroscopic method of rapidly growing importance, and polystyrene is a widely used compound of great industrial importance. In this work, SERS data were obtained from polystyrene samples prepared by vapor deposition of gold and plasma‐induced polymeriza…
Intrinsic point defects in indium oxide, including vacancies, interstitials as well as antisites, are studied by means of first-principles calculations within density functional theory using the generalized gradient approximation together with on-site corrections. Finite-size effects are corrected by an extrapolation…
The short-range structure of "invert" glasses along the pseudobinary join MgSiO(3)-Mg(2)SiO(4) has been studied using (29)Si and (25)Mg MAS NMR spectroscopy. The results indicate a progressive compositional evolution in Q speciation that approximately follows a statistical distribution. The Mg(2)SiO(4) glass shows an…
The coherence of graphene layers on Ru(0001) over extended distances has been employed to identify fcc and hcp regions of the associated moire superstructure. These findings can be used as a straightforward method to discriminate between fcc and hcp hollow sites of Ru(0001). Our approach thereby makes use of the "magn…
Wrinkling was observed for a circular monolayer graphene sheet in nanoindentation based on molecular-dynamics simulations. The mechanics fundamentals of this phenomenon were then explored using a two-dimensional plate model. It was found that the graphene wrinkles when the indentation depth reaches a critical value, t…
The dispersion of multiwalled carbon nanotubes (MWNTs) by natural organic matter (NOM) may influence the bioavailability of MWNTs and other contaminants. The speciation and bioavailability of copper (Cu) in MWNTs-associated NOM was studied using Daphnia magna. Cu titration data indicated that the binding affinity of C…
Electron paramagnetic resonance (EPR) and secondary-ion mass spectroscopy have been used to quantitatively investigate the phosphorus doping of freestanding silicon nanocrystals (Si-NCs) in a wide range of diameters. It is found that both the atomic phosphorus incorporation efficiency of 100% and its segregation to th…