Materials Literature
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We demonstrate theoretically that the topology of energy bands and Fermi surface in bilayer graphene undergoes a very sensitive transition when an extremely tiny lateral interlayer shift occurs in arbitrary directions. The phenomenon originates from a generation of an effective non-Abelian vector potential in the Dira…
The antibacterial activity of water-soluble chitosan derivatives prepared by Maillard reactions against Staphylococcus aureus, Listeria monocytogenes, Bacillus cereus, Escherichia coli, Shigella dysenteriae, and Salmonella typhimurium was examined. Relatively high antibacterial activity against various microorganisms…
A novel amphiphilic Tb(3+) complex (TbL(+)) having anionic bis(pyridine) arms and a hydrophobic alkyl chain is developed. It spontaneously self-assembles in water and gives stable vesicles that show sensitized luminescence of Tb(3+) ions at neutral pH. This TbL(+) complex is designed to show coordinative unsaturation,…
Visibly clear: A family of visible-light-responsive MCr–layered double hydroxides (LDHs; M=Cu, Ni, Zn) were synthesized. These show remarkable photocatalytic activity with visible-light irradiation. Experimental and computational studies revealed that the visible-light response of MCrNO3–LDHs originates from a d–d tr…
We previously reported a size-focusing conversion of polydisperse gold nanoparticles capped by phosphine into monodisperse [Au(25)(PPh(3))(10)(SC(2)H(4)Ph)(5)Cl(2)](2+) nanoclusters in the presence of phenylethylthiol. Herein, we have determined the crystal structure of [Au(25)(PPh(3))(10)(SC(2)H(4)Ph)(5)Cl(2)](2+) na…
Several experiments have reported that ferroelectric nanoparticles have drastic effects on nematic liquid crystals-increasing the isotropic-nematic transition temperature by about 5 K, and greatly increasing the sensitivity to applied electric fields. In a recent paper [Lopatina and Selinger, Phys. Rev. Lett. 102, 197…
Several experiments have revealed the presence of grain boundaries in graphene that may change its electronic and elastic properties. Here, we present a general theory for the structure of [0001] tilt grain boundaries in graphene based on the coincidence site lattice (CSL) theory. We show that the CSL theory uniquely…
The recently developed mechanoelastic model is applied to characterize the thermal transition in spin-crossover complexes, with special attention given to the case of spin-crossover nanoparticles. In a two-dimensional system, hexagonal-shaped samples with open boundary conditions are composed of individual molecules t…
Just a Mo: Tiny Mo concentrations in a CaO film can influence the growth of adsorbed gold. On undoped films, three dimensional gold structures form (see picture, top) whereas on the doped films flat islands appear (bottom). The change results from a charge transfer from the Mo dopant to the Au atoms, a process suggest…
Diamond-like carbon (DLC) has recently attracted much attention as a solid-state lubricant, because of its resistance to wear, low friction, and low abrasion. Several factors, such as the hydrogen atoms in DLC and transfer film formation are important for improving the tribological characteristics of DLC. In this pape…
The reverse martensitic ("austenitic") transformation upon heating of equiatomic nickel-titanium nanoparticles with diameters between 4 and 17 nm is analyzed by means of molecular-dynamics simulations with a semi-empirical model potential. After constructing an appropriate order parameter to distinguish locally betwee…
A field theory is developed for a thermodynamical description of array of parallel non-singular screw dislocations in elastic cylinder. The partition function of the system is considered in the functional integral form. Self-energy of the dislocation cores is chosen in the form suggested by the gauge-translational mod…
A new method for calculating optical absorption spectra within linear-scaling density-functional theory (LS-DFT) is presented, incorporating a scheme for optimizing a set of localized orbitals to accurately represent unoccupied Kohn-Sham states. Three different schemes are compared and the most promising of these, bas…
The emerging field of transformation optics, with its powerful ability to manipulate and control electromagnetic waves, represents a promising new approach to tailor the radiation properties of antennas. However, previously reported source transformation designs have been severely limited by their narrow operating ban…
Formation of CdS nanocrystals in the classic approach (with octadecene (ODE) as the solvent and elemental sulfur and cadmium carboxylate as the precursors) was found to be kinetically dependent on reduction of elemental sulfur by ODE, which possessed a critical temperature (~180 °C). After elemental sulfur was activat…
We designed and successfully synthesized the silver vanadium oxides/polyaniline (SVO/PANI) triaxial nanowires by combining in situ chemical oxidative polymerization and interfacial redox reaction based on β-AgVO(3) nanowires. The β-AgVO(3) core and two distinct layers can be clearly observed in single triaxial nanowir…
Locking of the spin of a quasi-particle to its momentum in split bands of on the surfaces of metals and topological insulators (TIs) is understood in terms of Rashba effect where a free electron in the surface states feels an effective magnetic field. On the other hand, the orbital part of the angular momentum (OAM) i…
In this paper we review some connections recently discovered between topological insulators and certain classes of quantum spin liquids, focusing on two and three spatial dimensions. In two dimensions we show the integer quantum Hall effect plays a key role in relating topological insulators and chiral spin liquids de…
PbPdO$_2$, a ternary compound containing the lone-pair active ion Pb$^{2+}$ and the square-planar d$^8$ Pd$^{2+}$ ion, has attracted recent interest because of the suggestion that its electronic structure, calculated within density functional theory using either the local density or the generalized gradient approximat…
Temperature-dependent synchrotron powder diffraction on Cs(0.83)(Fe(0.86)Se)(2) revealed first-order I4/m to I4/mmm structural transformation around 216 °C associated with a disorder of the Fe vacancies. Irreversibility observed during the transition is likely associated with a mobility of the intercalated alkali atom…