Materials Literature
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We investigated the series of temperature and field-driven transitions in LuFe2O4 by optical and Mössbauer spectroscopies, magnetization, and x-ray scattering in order to understand the interplay between charge, structure, and magnetism in this multiferroic material. We demonstrate that charge fluctuation has an onset…
We report ultrathin pH-responsive plasmonic membranes of [poly(methacrylic acid)-gold nanorods] 20 (PMAA-Au NRs) 20 with gold nanorods embedded into swollen cross-linked LbL hydrogels. In contrast to the most of known pH responsive materials which rely on pH-triggered change in the intensity of photoluminescence or pl…
We analytically calculate the energy spectrum of a circular graphene quantum dot with radius $R$ subjected to a perpendicular magnetic field $B$ by applying the infinite-mass boundary condition. We can retrieve well-known limits for the cases $R,B\ensuremath{\rightarrow}\ensuremath{\infty}$ and $B\ensuremath{\rightarr…
The aim of this study was to evaluate adverse effects of multiwalled carbon nanotubes (MWCNT), produced for industrial purposes, on the human epithelial cell line A549. MWCNT were dispersed in dipalmitoyl lecithin (DPL), a component of pulmonary surfactant, and the effects of dispersion in DPL were compared to those i…
We propose a generalized Dirac fermion description for the electronic state of graphene terminated by a zigzag edge. This description admits a spin-orbit coupling needed to preserve time-reversal invariance of the zigzag confinement, otherwise, for spinless particles, showing the parity anomaly typical of quantum elec…
A new modification of KOs2O6, the representative of a new structural type (Pearson symbol aP18, a=5.5668(1)A, b=6.4519(2)A, c=7.2356(2)A, space group P-1, no.2) was synthesized employing high pressure technique. Its structure was determined by single-crystal X-ray diffraction. The structure can be described as two OsO…
Silica particles as a nanoparticulate carrier material for contrast agents have received considerable attention the past few years, since the material holds great promise for biomedical applications. A key feature for successful application of this material in vivo is biocompatibility, which may be significantly impro…
We present an experimental study encompassing synthesis and characterization of fully conjugated tri(perylene bisimides) (triPBIs), having 19 six-membered carbon rings in the core and six imide groups at the edges. Two structural isomers of triPBIs resulting from the two probable coupling positions were successfully s…
Using first-principles calculations, the effect of magnetic point defects (vacancy and adatom) is investigated in zigzag graphene nanoribbons. The structural, electronic, and spin-transport properties are studied. While pristine ribbons display anti-parallel spin states at their edges, the defects are found to perturb…
Metal nanoparticles have received increasing attention for their peculiar capability to control local surface plasmon resonance (SPR) when interacting with incident light waves. In this article, we calculate the optical extinction spectra of silver nanocubes with the edge length ranging from 15 to 200 nm by using the…
We report developments of the kinetic Monte Carlo (KMC) method with improved accuracy and increased versatility for the description of atomic diffusivity on metal surfaces. The on-lattice constraint built into our recently proposed Self-Learning KMC (SLKMC) [1] is released, leaving atoms free to occupy Off-Lattice pos…
Full-potential linearized augmented plane wave (FP-LAPW) method with the generalized gradient approximation (GGA) for the exchange-correlation potential has been applied for the study of structural, elastic and electronic properties of the newly synthesized nitrogen-containing perovskite-like superconductor ZnNNi3. Th…
An \textit{ab initio} electronic structure calculation based on the generalized gradient approximation in the density functional theory is carried out to study the basic electronic states of hollandite vanadate K$_2$V$_8$O$_{16}$. We find that the states near the Fermi energy consist predominantly of the three $t_{2g}…
Addition of only 1% of acetylene into ethanol was found to enhance the growth rate of singlewalled carbon nanotubes (SWNTs) by up to ten times. Since acetylene is a byproduct of the thermal decomposition of ethanol, this suggests an alternative fast reaction pathway to the formation of SWNTs from ethanol via byproduct…
X-ray scattering by multiferroic LuFe2O4 is reported. Below 320 K, superstructure reflections indicate an incommensurate charge order with propagation close to (1/3 1/3 3/2). The corresponding charge configuration, also found by electronic structure calculations as most stable, contains polar Fe/O double layers with a…
A self-consistent model of bipolar charge-carrier injection and transport processes in a semiconductor/insulator/conductor system is developed which incorporates space-charge effects in the description of the injection process. The amount of charge-carriers injected is strongly determined by the energy barrier emergin…
We reexamined the cellular drug delivery mechanism by poly(lactic-co-glycolic acid) nanoparticles (PLGA NPs) to determine their utility and limitations as an intracellular drug delivery system. First, we prepared PLGA NPs which physically encapsulated Nile red (a hydrophobic fluorescent dye), in accordance with the us…
Concerns for the environment and consumer demand are driving research into environmentally friendly fibers as replacements for part of the 38 million tonnes of synthetic fiber produced annually. While much current research focuses on cellulosic fibers, we highlight that protein fibers regenerated from waste or byprodu…
We present an ab initio numerical many-body GW calculation of the band plot in freestanding graphene. We consider the full ionic and electronic structure introducing e-e interaction and correlation effects via a self-energy containing non-Hermitian and dynamical terms. With respect to the density-functional theory loc…
In nanosized pores, liquid water can be thermodynamically stable down to temperatures well below the limit of homogeneous nucleation of bulk water ( approximately 235 K). Studies of water in such pores therefore offer an opportunity to reveal the anomalous behavior of deeply supercooled water. Herein we focus on recen…