Materials Literature
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Intrinsically microporous soluble poly(imide)s were prepared via polycondensation from (±)-2,2′-diamino-1,1′-binaphthalene or 4,4′-(9-fluorenylidene)dianiline and four different linear comonomers: pyromellitic dianhydride, 3,3′,4,4′-biphenyltetracarboxylic dianhydride, 4,4′-oxidiphthalic anhydride, and 4,4′-(hexafluor…
The influence of A-site Gd3+ doping on the c/a ratio, cell volume and Curie temperature (Tc) of ferroelectric BaTiO3 according to the titanium vacancy mechanism, viz., Ba1−xGdxTi1−x/4O3 has been investigated and compared to that of La3+-doping. The c/a ratio and cell volume of Gd-doped samples are larger than the equi…
Raman signal enhancement of two analyte molecules, containing bipyridine and phenyl moieties, were investigated by linking them (i) onto the edges of Au nanorods using monothiol derivatives and (ii) at the junctions of two Au nanorods using dithiol derivatives. Edges of Au nanorods are regions of high electric field,…
We describe a new method of fabricating large-area, highly scalable, "hybrid" superhydrophobic surfaces on silicon (Si) substrates with tunable, spatially selective adhesion behavior by controlling the morphologies of Si nanowire arrays. Gold (Au) nanoparticles were deposited on Si by glancing-angle deposition, follow…
Superhydrophobic surfaces (SHSs) show promise as promoters of dropwise condensation. Droplets with diameters below ∼10 μm account for the majority of the heat transferred during dropwise condensation but their growth dynamics on SHS have not been systematically studied. Due to the complex topography of the surface env…
Modulation of Pd nanoparticle (NP) crystallinity is achieved by switching the surfactants of different binding strengths. Pd NPs synthesized in the presence of weak binding surfactants such as oleylamine possess polyhedral shapes and a polycrystalline nature. When oleylamine is substituted by trioctylphosphine, a much…
The reduction of graphene oxide surfaces yielding molecular CO/CO 2 is studied from first principles using density functional theory. We find that this reaction can proceed exothermically only from surface precursors containing more oxygen atoms than strictly needed to produce CO/CO 2 in the gas phase. The calculation…
It has been shown that the first C layer on the SiC$(000\stackrel{\underline{}}{1})(2\ifmmode\times\else\texttimes\fi{}2){}_{C}$ surface already exhibits graphene-like electronic structure, with linear $\ensuremath{\pi}$ bands near the Dirac point. Indeed, the $(2\ifmmode\times\else\texttimes\fi{}2){}_{C}$ reconstruct…
High quantum yield, low transverse energy spread, and prompt response time make GaAs activated to negative electron affinity an ideal candidate for a photocathode in high brightness photoinjectors. Even after decades of investigation, the exact mechanism of electron emission from GaAs is not well understood. We show t…
The superconducting transition temperature ${T}_{c}$ of multilayers of electron-doped cuprates, composed of underdoped (or undoped) and overdoped La${}_{2\ensuremath{-}x}$Ce${}_{x}$CuO${}_{4}$ (LCCO) and Pr${}_{2\ensuremath{-}x}$Ce${}_{x}$CuO${}_{4}$ (PCCO) thin films, is found to increase significantly with respect t…
First-principles calculations are carried out to study the role of various metal atoms on porous graphene for molecular hydrogen (H2) adsorption. The binding sites of each metal atom on porous graphene are investigated and the binding energies are determined. It is shown that H2 exhibits different adsorption character…
The production of biodegradable and edible films with desired mechanical characteristics and gas barrier properties represents one of the most advanced challenges in the field of food wrapping and coating. New edible films can serve not only to provide food with physical protection but also to reduce loss of their moi…
We develop a unified theory of plasmon-assisted resonance energy transfer (RET) between molecules near a metal nanostructure that maintains energy balance between transfer, dissipation, and radiation. We show that in a wide range of parameters, including in the near field, RET is dominated by plasmon-enhanced radiativ…
We have demonstrated the effect of hydrostatic pressure on magnetic and transport properties, and thermal-transport properties in the electron-doped manganite ${\mathrm{CaMn}}_{1\ensuremath{-}x}{\mathrm{Sb}}_{x}{\mathrm{O}}_{3}$. The substitution of Sb${}^{5+}$ ion for Mn ${}^{4+}$ site of the parent matrix causes one…
We study the characteristics of scattering processes at step edges on the surfaces of strong topological insulators (STIs), arising from restrictions imposed on the $S$ matrix solely by time-reversal symmetry and translational invariance along the step edge. We show that the ``perfectly reflecting'' step edge that may…
We demonstrate a method of x-ray absorption spectroscopy (XAS) that is bulk sensitive, like traditional fluorescence yield measurements, but is not affected by self-absorption or saturation effects. This measure of XAS is achieved by scanning the incident photon energy through an absorption edge and using an energy-se…
We examine the mechanical properties of graphene samples of thicknesses ranging from 1 to 17 atomic layers, placed on a microscale-corrugated elastic substrate. Using atomic force microscopy, we show that the graphene adheres to the substrate surface and can substantially deform the substrate, with larger graphene thi…
Concentrated electric field and its energy in materials, containing nanofibers, are discussed. It is shown that the electric field in the vicinity of the end of a fiber is proportional to the external applied field and to the fiber length, whilst it is inversely proportional to the fiber diameter. Specific electrostat…
Based on first-principles calculations, electronic properties of edge-functionalized zigzag graphene nanoribbons (ZGNRs) on SiO2 substrate are presented. Metallic or semiconducting properties of ZGNRs are revealed due to various interactions between edge-hydrogenated ZGNRs and different SiO2 (0001) surfaces. Bivalent…
The development of coarse-grained (CG) models that correctly represent the important features of compounds is essential to overcome the limitations in time scale and system size currently encountered in atomistic molecular dynamics simulations. Most approaches reported in the literature model one or several molecules…