Materials Literature
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We present a theoretical density-functional theory study of the effect of deposition on a metal substrate (Mg, Pt, Ag, and Au) on the phase diagram of ultrathin MgO(111) polar films. By considering various crystallographic structures (rocksalt, zinc-blende, and graphiticlike), layer stackings and lattice registries at…
The dielectric properties of KCa2Nan−3NbnO3n+1 (n=3–6) Dion–Jacobson homologous series have been investigated. The dielectric constants (ε) increase with the number of octahedral units (n), and the n=6 compound (KCa2Na3Nb6O19) exhibits a stable dielectric response with ε=∼500 between 1 kHz and 1 MHz. This n-dependent…
The in-plane thermal conductivity is measured to be three times lower in misfit-layered [(PbSe)0.99]x(WSe2)x superlattice thin films than disordered-layered WSe2 because of interface scattering despite a higher cross-plane value in the former than the latter. While having little effect on the in-plane thermal conducti…
We newly synthesized the chiral pybox ligand, 2,6-bis[(4S)-tert-butylcarbamoyl-2-oxazolin-2-yl]pyridine, whose lanthanoid(III) complexes have formed isomorphous crystals through all the lanthanoid series. The luminescence properties of the Eu(III) complex have been investigated.
Excitons in rubrene single crystals dissociate into free charge carriers via two mechanisms whose relative importance depends on the illumination wavelength through the optical penetration depth into the crystal. The first mechanism is defect-induced dissociation in less than 10 ns after photoexcitation. For low photo…
We report on the crystallization kinetics in an entropically attractive colloidal system using a combination of time resolved scattering methods and microscopy. Hard sphere particles are polystyrene microgels swollen in a good solvent (radius a=380 nm, starting volume fraction 0.534) with the short ranged attractions…
Abstract In this study, experimental and numerical studies were performed to investigate the relationship among the functionalization method, weight fraction of MWCNTs, thermal imidization cycle, and mechanical properties of various PAI/MWCNT composite films. Poly(amide‐ co ‐imide)/multiwalled carbon nanotube composit…
Effects of the crystalline and amorphous structure of alumina shells on the dynamics of oxidation of an aluminum nanoparticle (ANP) are studied using multimillion-atom molecular dynamics simulations. With an amorphous shell, formation of oxidized nanocluster fragments produced by the shattering of the shell, combined…
Plane wave density functional theory calculations have been performed to study the potential hydrogen storage material Ca(BH 4 ) 2 and the proposed CaB 2 H x dehydrogenation intermediate. It is shown that three different published structures of α-Ca(BH 4 ) 2 are essentially identical. Likewise, four proposed structure…
The present Article reports the relationships between molecular orientation, formation, and spatial distribution of gamma-crystals in metallocene-made isotactic polypropylene (m-iPP) samples prepared by two industrial processes: conventional injection molding (CIM) and oscillatory shear injection molding (OSIM), in wh…
The size of silicon quantum dots (Si QDs) embedded in silicon nitride (SiNx) has been controlled by varying the total pressure in the plasma-enhanced chemical vapor deposition (PECVD) reactor. This is evidenced by transmission electron microscopy and results in a shift in the light emission peak of the quantum dots. W…
Nanocrystalline Zn 1− x Co x O ( x = 0−0.50) particles are produced by chemical vapor synthesis using laser flash evaporation as a novel precursor delivery method. The crystal and local structure of the samples is studied using X-ray diffraction and X-ray absorption spectroscopy. A single wurtzite phase is observed in…
Views Icon Views Article contents Figures & tables Video Audio Supplementary Data Peer Review Share Icon Share Twitter Facebook Reddit LinkedIn Tools Icon Tools Reprints and Permissions Cite Icon Cite Search Site Citation Z. Barkay; Wettability study using transmitted electrons in environmental scanning electron micro…
Views Icon Views Article contents Figures & tables Video Audio Supplementary Data Peer Review Share Icon Share Twitter Facebook Reddit LinkedIn Tools Icon Tools Reprints and Permissions Cite Icon Cite Search Site Citation B. Xu, Y. D. Xia, J. Yin, X. G. Wan, K. Jiang, A. D. Li, D. Wu, Z. G. Liu; The effect of acoustic…
The discovery of new coordination complexes that can support spin crossover (SCO) or light-induced excited spin state trapping (LIESST) could be radically improved by better computational tools. While methods such as density functional theory (DFT) are capable of high accuracy, they are too slow for molecular discover…
The effect of an external magnetic field (0-1 T) on the upconversion emission (lambda(exc)=976 nm) of Gd(2)O(3):Er(3+)Yb(3+) nanocrystalline phosphor has been studied. Optical bistability (hysteresis behavior in the intensity of the optical emission) for different transitions of the Er(3+) ion has been observed for a…
We demonstrate that, in the presence of Coulomb interactions, electrons in graphene behave like a critical system, supporting power law correlations with interaction-dependent exponents. An asymptotic analysis shows that the origin of this behavior lies in particle-hole scattering, for which the Coulomb interaction in…
We investigate conductance fluctuations as a function of carrier density n and magnetic field in diffusive mesoscopic samples made from monolayer and bilayer graphene. We show that the fluctuations' correlation energy and field, which are functions of the diffusion coefficient, have fundamentally different variations…
We numerically study the optical absorption in Si nanowire and nanoporous Si structures that have potential applications in solar cells. It is found that for the same thickness and filling ratio of Si, thin nanoporous structures can have much higher absorption than thin Si nanowire arrays. Above a critical filling rat…
BiFeO 3 is the prototypical multiferroic and one of the few with both (anti)ferroic ordering temperatures above 300 K. While its magnetic and ferroelectric properties and their coupling have been investigated intensely, offering opportunities in spintronics, little is known concerning its optical properties and their…