Materials Literature
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We report the electronic and transport properties of the triangular antiferromagnet PdCrO(2) at high magnetic fields up to 33 T, using measurements of the de Haas-van Alphen oscillations and the Hall resistivity. The de Haas-van Alphen oscillations below the magnetic ordering temperature T(N) reveal several two-dimens…
The two glucose analogs 2-deoxy-D-glucose (2-DG) and 2-fluoro-2-deoxy-D-glucose (FDG) are preferentially taken up by cancer cells, undergo phosphorylation and accumulate in the cells. Owing to their exchangeable protons on their hydroxyl residues they exhibit significant chemical exchange saturation transfer (CEST) ef…
BACKGROUND: Hazard identification for risk assessment of nanoparticles (NPs) is mainly composed of in vitro cell-based assays and in vivo animal experimentation. The rapidly increasing number and functionalizations of NPs makes in vivo toxicity tests undesirable on both ethical and financial grounds, creating an urgen…
In this work, the lignocellulosic fibers from the plant Thespesia lampas were extracted and investigated in detail. The prime objective of this work was to study the effect of alkali treatment on the chemical composition, tensile properties, morphological and structural changes, and thermal degradation of Thespesia la…
The selective adsorption of a corrosive gas, SO 2, into two microporous pillared paddle-wheel frameworks M(bdc)(ted) 0.5 [ M = Ni, Zn; bdc =1,4-benzenedicarboxylate; ted = triethylenediamine] is studied by volumetric adsorption measurements and a combination of in situ infrared spectroscopy and ab initio density funct…
The electrocaloric effect (ECE) in BaTiO3 is simulated using two different first-principles based effective Hamiltonian molecular dynamics methods. The calculations are performed for a wide range of temperatures (30--900 K) and external electric fields (0--500 kV/cm). As expected, a large adiabatic temperature change,…
We have constructed dichromatic matrices of property coefficients for all 1601 Aizu species. This involves 122 non-magnetic Aizu species and extends the work to the 773 species of phase transitions from disordered magnetic prototypic (parent) phases and the 616 species from ordered magnetic prototypic phases. In addit…
The structural and electronic recovery pathways of a photoexcited ultrathin vanadium dioxide (VO${}_{2}$) film at nanosecond time scales have been studied using time-resolved x-ray diffraction and transient optical absorption techniques. The recovery pathways from the tetragonal metallic phase to the monoclinic insula…
Physical mechanisms unique to plasmonic materials, which can be exploited for the existing and emerging applications of plasmonics for renewable energy technologies, are reviewed. The hybrid nature of surface plasmon (SP) modes - propagating surface plasmon polaritons (SPPs) and localized surface plasmons (LSPs) - as…
Although the concept of random close packing with an almost universal packing fraction of ~ 0.64 for hard spheres was introduced more than half a century ago, there are still ongoing debates. The main difficulty in searching the densest packing is that states with packing fractions beyond the glass transition at ~ 0.5…
In this work, the spallation processes in the ductile metals are systematically discussed in theory. By employing the phase transition theory and non-equilibrium transport theory, the spallation processes of ductile metals under dynamic loading may be mainly determined by the diffusion and agglomeration of generated v…
We present investigate the self assembly and growth of an array of $CdS$ nanotubes: a consequence of a fine balance of directed motion, diffusion and aggregation of reacting ${\rm Cd^{+2}}$ and ${\rm S^{-2}}$ ions. In a previous communication [J. Kiruthiga, A. Chatterji, J. Chem. Phys., {\bf 138} 024905 (2013)], we id…
The earlier-suggested master equation approach is used to develop the consistent statistical theory of diffusion in alloys using the five-frequency model of FCC alloys as an example. Expressions for the Onsager coefficients in terms of microscopic interatomic interactions and some statistical averages are presented. W…
KNi$_2$Se$_2$ exhibits an increase of symmetry on cooling below $T\le50$ K, as observed by Raman spectroscopy and synchrotron x-ray diffraction. X-ray absorption spectroscopy confirms that the symmetry increase is due to changes in nickel-nickel interactions and suppression of charge density wave fluctuations. Density…
Magnetic composite photocatalyst Bi 2 O 3 /SrFe 12 O 19 was synthesized by hydrolysis with medium temperature sintering method. X-ray diffraction (XRD) investigation revealed that introduction of SrFe 12 O 19 did not change the favorite growth direction of Bi 2 O 3, [121] orientation. Micromorphology study indicated t…
In this paper, we review the principal theoretical models through which the dielectric function of metals can be described. Starting from the Drude assumptions for intraband transitions, we show how this model can be improved by including interband absorption and temperature effect in the damping coefficients. Electro…
By controlling the SWNT-rGO electrode composition and thickness to attain the appropriate porosity and tortuosity, the electroactive surface area is maximized while rapid diffusion of the electrolyte through the electrode is maintained. This leads to an increase in exchange current density between the electrode and el…
The virtual high-throughput screening framework of the Harvard Clean Energy Project allows for the computational assessment of candidate structures for organic electronic materials – in particular photovoltaics – at an unprecedented scale. We report the most promising compounds that have emerged after studying 2.3 mil…
Palladium hydrides display the largest isotope effect anomaly known in the literature. Replacement of hydrogen with the heavier isotopes leads to higher superconducting temperatures, a behavior inconsistent with harmonic theory. Solving the self-consistent harmonic approximation by a stochastic approach, we obtain the…
Liposomes are used as a delivery vehicle for drug molecules and imaging agents. The major impetus in their biomedical applications comes from the ability to prolong their circulation half-life after administration. Conventional liposomes are easily recognized by the mononuclear phagocyte system and are rapidly cleared…