Materials Literature
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The charge-flipping structure-solution algorithm introduced by Oszlányi and Süto in 2004 has been adapted to accommodate powder diffraction data. In particular, a routine for repartitioning the intensities of overlapping reflections has been implemented within the iterative procedure. This is done by modifiying the el…
Novel thermosensitive polymer vesicles with controlled temperature-responsive phase transition at the lower critical solution temperature (LCST) varying from 8 to 81 degrees C were prepared via self-assembly of amphiphilic hyperbranched star copolymers having a hydrophobic hyperbranched poly[3-ethyl-3-(hydroxymethyl)o…
Anisotropic uniform single-crystal nanostructures of α-MoO 3 have been synthesized successfully via a novel green and facile approach, i.e., decomposition and condensation of peroxomolybdic acid under hydrothermal conditions. The structure and morphology of the products were characterized by means of X-ray diffraction…
We employ a first-principles lattice-gas Hamiltonian (LGH) approach to determine the lateral interactions between O atoms adsorbed on the Pd(100) surface. With these interactions we obtain an ordering behavior at low coverage that is in quantitative agreement with experimental data. Uncertainties in the approach arise…
We calculate the classic Hall conductivity and mobility of the undoped and doped (or at the gate voltage) graphene as a function of temperature, magnetic field, and carrier concentration. Carrier collisions with defects and acoustic phonons are taken into account. The Hall resistivity varies almost linearly with tempe…
The authors analyzed extensively the dynamics of polymer chains in solutions simulated with dissipative particle dynamics (DPD), with a special focus on the potential influence of a low Schmidt number of a typical DPD fluid on the simulated polymer dynamics. It has been argued that a low Schmidt number in a DPD fluid…
The charge transport properties of individual, metallic nitrogen doped, single-walled carbon nanotubes are investigated. It is demonstrated that n -type conduction can be achieved by nitrogen doping. Evidence was obtained by appealing to electric-field effect measurements at ambient condition. n -type conduction is at…
We report here straightforward solution-phase methods of preparing CdS NCs with a wide variety of morphologies, starting with oleylamine as the surfactant or capping agent, and varying the reaction conditions. We have systematically investigated the effects of temperature, precursor concentration, growth time, additio…
The radiation damping rate of plasmon resonances in pairs of spherical gold nanoparticles is calculated. The radiative line width of the plasmon resonance indicates significant far-field coupling between the nanoparticles over distances many times the particle diameter. The radiation damping of the coupled particle-pl…
Equivalent circuit models are presented for the resistance of single- and multi-wall carbon nanotubes (MWCNs) that capture various electron-phonon scattering mechanisms as well as changes in the number of conduction channels as a function of temperature. For single- and few-wall nanotubes, the temperature coefficient…
High-quality ZnS, ZnS:Mn2+, and ZnS:Mn2+/ZnS (core/shell) nanocrystals (NCs) were synthesized via a high-boiling solvent process and characterized by X-ray diffraction (XRD), transmission electron microscopy (TEM), electron paramagnetic resonance (EPR), X-ray photoelectron spectroscopy (XPS), and photoluminescence (PL…
Dipicolinic acid (DPA) is a unique constituent of bacterial spores, a dormant form of Bacillus and Clostridium, which can be detected using DPA-triggered Tb 3+ luminescence. [Tb(DO2A)] + improves the sensitivity of bacterial spore detection over Tb 3+ (aq) owing to the exclusion of coordinated water molecules and repr…
The problem of the phonon bottleneck in the relaxation of two-level systems (spins) to a narrow group of resonant phonons via emission-absorption processes is investigated from the first principles. It is shown that the kinetic approach based on the Pauli master equation is invalid because of the narrow distribution o…
The structure of a water adlayer on Pt(111) surface is investigated by extensive first principle calculations. Only allowing for proton disorder the ground state energy can be found. This results from an interplay between water/metal chemical bonding and the hydrogen bonding of the water network. The resulting short O…
In this paper we calculated the elastic constants of $γCe$. The calculations were performed self-consistently using the full potential augmented plane wave plus local orbital (FP-APW+lo) method. We used the generalized gradient approximation (GGA) to calculate the exchange-correlation energy. The elastic constants wer…
Transient responses of the electronic excitation and coherent soft phonon are investigated both above and below the ferroelectric phase transition temperature ${T}_{c}$ in ${\mathrm{Pb}}_{1\ensuremath{-}x}{\mathrm{Ge}}_{x}\mathrm{Te}$ by using an optical pump-probe technique. The coherent soft mode shows large redshif…
We propose a mean-field model to explore the equilibrium coupling between micelle aggregation and lattice choice in neutral copolymer and selective solvent mixtures. We find both thermotropic and lyotropic transitions from face-centered cubic to body-centered cubic ordered phases of spherical micelles, in agreement wi…
Multiwalled boron carbonitride (BCN) nanotubes with two different structures were synthesized via thermal chemical vapor deposition; one has 10% C atoms homogeneously doped into BN nanotubes (B0.45C0.1N0.45 NTs), and the other has BN layers sheathed with 5-nm-thick C outerlayers (BN-C NTs). The electronic structures o…
Abstract Thermally conductive silicone rubber used as elastomeric thermal pad is successfully developed with boron nitride powder as conductive filler. The effects of content and particle size of filler on the thermal conductivity and mechanical property of silicone rubber are investigated. The results indicate that t…
Abstract Polyamides having various amounts of maleimide (PA‐MI) and furan (PA‐F) pendent groups, respectively, as well as their cross‐linked polymers (PA‐MI/PA‐F) were prepared. PA‐MI/PA‐F cross‐linked polymers showed thermally reversible cross‐linking behavior via Diels‐Alder (DA) and retro‐DA reactions. Cross‐linked…