Materials Literature
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Here we present a layer-by-layer (LbL) assembled device architecture that serves as a model heterostructure to study the atypical assembly that can result from the bottom-up combination of multiple multilayers of different compositions. Heterostructure assembly is disrupted by diffusion of linear poly(ethylene imine)…
In the 1960s, Samson solved the structures of some of the most complicated intermetallic phases known, including those of NaCd(2), Mg(2)Al(3), and Cu(3)Cd(4) (each with over 1000 atoms per unit cell). Following remarkable earlier constructions by Samson and by Andersson, we use quantum-mechanical calculations as a gui…
It is of fundamental importance to be able to easily distinguish between the viscoelastic properties of a molecular gel (noncovalent cross-linked three-dimensional polymer structure) and a brush (polymer structure that emanates from a surface in three dimensions without cross-linking). This has relevance in biology an…
Current solid oxide fuel cell research aims for the reduction of operating temperatures while maintaining power output to reduce the cost of operation. A promising strategy for achieving this goal is to replace common microcrystalline yttria-stabilized zirconia (YSZ) electrolytes of 10−200 μm thickness with nanocrysta…
A diarylethene possessing one [4]thiaheterohelicene and one benzothiophene, the latter with a chiral methoxymethoxyethyl group on its C-3 position, was proved to work as a switch of specific optical rotation at a wavelength at which both colored and colorless forms have no absorption in solution. The difference of the…
Recent experiments on the organic compound $\ensuremath{\kappa}\mathrm{\text{\ensuremath{-}}}(\mathrm{BEDT}\mathrm{\text{\ensuremath{-}}}\mathrm{TTF}{)}_{2}{\mathrm{Cu}}_{2}(\mathrm{CN}{)}_{3}$ raise the possibility that the system may be described as a quantum spin liquid. Here we propose a pairing state caused by th…
A series of solid organic acids were used to p-dope carbon nanotubes. The extent of doping is shown to be dependent on the pKa value of the acids. Highly fluorinated carboxylic acids and sulfonic acids are very effective in shifting the threshold voltage and making carbon nanotube field effect transistors to be more p…
A first-principles-derived method is used to study the morphology and electric-field-induced evolution of stripe nanodomains in (001) $\mathrm{Ba}\mathrm{Ti}{\mathrm{O}}_{3}$ (BTO) ultrathin films, and to compare them with those in (001) $\mathrm{Pb}(\mathrm{Zr},\mathrm{Ti}){\mathrm{O}}_{3}$ (PZT) ultrathin films. The…
Winning the three-legged race: Rapid self-organization of a tripodal aromatic dipeptide conjugate on a tris(2-aminoethyl)amine scaffold leads to a vesicular morphology (upper image). The structures can trap a fluorescent dye (lower image) and release it upon acidification, suggesting the use of such stimuli-responsive…
We report the effects of Si substitution on the temperature-dependent electrical resistivity, Seebeck coefficient, as well as thermal conductivity in the Heusler-type compound ${\mathrm{Fe}}_{2}\mathrm{VAl}$. It is found that the substitution of Si onto the Al sites causes a significant decrease in the electrical resi…
The Ludwig-Soret effect, the migration of a species due to a temperature gradient, has been extensively studied without a complete picture of its cause emerging. Here we investigate the dynamics of DNA and spherical particles sub jected to a thermal gradient using a combination of Brownian dynamics and the lattice Bol…
Two series of highly efficient and thermally stable nonlinear optical chromophores based on the (4-diarylamino)phenyl electron donors have been synthesized and systematically investigated. A modular approach has been employed to synthesize these electron donors with tunable size, shape, and electron-donating abilities…
Inspired by the work of Kamenev and Kohn, we present a general discussion of the two-terminal dc conductance of molecular devices within the framework of Time Dependent Current-Density Functional Theory. We derive a formally exact expression for the adiabatic conductance and we discuss the dynamical corrections. For j…
Carrier (exciton) multiplication in colloidal InAs/CdSe/ZnSe core−shell quantum dots (QDs) is investigated using terahertz time-domain spectroscopy, time-resolved transient absorption, and quasi-continuous wave excitation spectroscopy. For excitation by high-energy photons (∼2.7 times the band gap energy), highly effi…
The Wang-Landau method is used to study the magnetic properties of the giant paramagnetic molecule ${{\mathrm{Mo}}_{72}{\mathrm{Fe}}_{30}}$ in which 30 ${\mathrm{Fe}}^{3+}$ ions are coupled via antiferromagnetic exchange. The two-dimensional density of states $g(E,M)$ in energy and magnetization space is calculated us…
A canonical band theory of non-collinear magnetism is developed and applied to the close packed fcc and bcc crystal structures. Several examples of non-collinear magnetism in the periodic table are seen to be canonical in origin. This is a parameter free theory where the crystal and magnetic symmetry, and exchange spl…
The effect of plasma oscillations on acoustic wave amplification by carrier drift in semiconductors is discussed. A continuum theory is developed on the basis of hydrodynamical equations for the conduction electrons, the equations for the elastic vibrations of the crystal, and the Poisson equation. It is shown that if…
Restoring force acts on the electronic cloud of the outer electrons of a neutral or charged impurity atom when it is shifted relative to the inner charged core. Because of this the dipole oscillation arises, which influences considerably the dispersion law of the plasma oscillation in bulk donor semiconductors. Assumi…
X-ray reflectivity studies reveal atomic-level surface-segregation at the free surface of the eutectic Au71Sn29 liquid alloy. The surface-segregation extends up to three layers, in which the top layer is almost a pure monolayer of Sn, the second layer is almost a pure monolayer of Au and the third layer appears to be…
The behavior of quantum fluids (4He and H2) within nanopores is explored in various regimes, using several different methods. A focus is the evolution of each fluid's behavior as pore radius R is increased. Results are derived with the path integral Monte Carlo method for the finite temperature (T) behavior of quasi-o…