Materials Literature
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Vanadium sesquioxide, V(2)O(3), boasts a rich phase diagram whose description necessitates accounting for many-body Coulomb correlations. The spectral properties of this compound have been successfully addressed within dynamical mean field theory to the extent that results of recent angle-resolved photoemission experi…
Based on first-principles calculations, we study the origin of the large thermopower in Ni-doped LaRhO(3) and Mg-doped CuRhO(2). We calculate the band structure and construct the maximally localized Wannier functions from which a tight binding Hamiltonian is obtained. The Seebeck coefficient is calculated within the B…
Massless Dirac particles cannot be confined by an electrostatic potential. This is a problem for making graphene quantum dots but confinement can be achieved with a magnetic field and here general conditions for confined and deconfined states are derived. There is a class of potentials for which the character of the s…
The electronic spectra for double-wall zigzag and armchair nanotubes are found. The influence of nanotube curvatures on the electronic spectra is also calculated. Our finding that the outer shell is hole doped by the inner shell is in the difference between Fermi levels of individual shells which originate from the di…
The importance of glass formation and the glass transition is linked to their universality, embracing many classes of materials: metallic, inorganic, and organic. There is no agreement on what drives this phenomenon; moreover, experiments are challenging due to the nonequilibrium nature of the glassy state. We present…
Wheels of steel: Two enantiomerically pure chiral {Fe(28)} wheel-like aggregates have been synthesized from the acetate buffer solution containing ferric ions and chiral tartrate ligands (see picture). These compounds are the largest chiral ferric aggregates isolated to date.
Using anionic surfactant as templates, ordered mesoporous silica hollow spheres (MSHSs) with radially oriented mesochannels were synthesized with the aid of ultrasonic irradiation. The product was consisted of intact and dispersed hollow spheres with the diameter mostly in the range of 100−500 nm. The hollow spheres p…
β-NaYF 4 hexagonal microprisms and microrods with different aspect ratios have been prepared via a simple hydrothermal route. X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), and photoluminescence (PL) spectra as well as kinetic decays were used to characterize the s…
We extend Mulliken's theory of ground state charge transfer in a donor-acceptor complex to excited state charge transfer between pairs of identical $π$-conjugated oligomers, one of which is in the optically excited state and the other in the ground state, leading to the formation of a charge-transfer exciton. Within o…
We report on a quantum description of the domain wall (DW) motion under a spin current. A bound magnon, which is the zero mode of DW, is found to play a dominant role in DW dynamics. The bound magnon acquires its inertia by the hard axis anisotropy and is a free particle even under the spin current. The full transfer…
The authors proposed and computationally analyzed nonvolatile static random access memory (NV-SRAM) architecture using metal-oxide-semiconductor field-effect transistor (MOSFET) type of spin-transistors referred to as pseudo-spin-MOSFET (PS-MOSFET). PS-MOSFET is a new circuit approach to reproduce the functions of spi…
Propelling magnetism: Supramolecular organization leads to a remarkable dodecanuclear {Cu(3)Dy(3)}(2) cluster with a "double-propeller" shape (see picture). The linkages of the CuDy units, both intramolecular and supramolecular, appear to be responsible for a drastic change in the single molecule magnetic behavior.
The advance of graphene-based nanoelectronics has been hampered due to the difficulty in producing single- or few-layer graphene over large areas. We report a simple, scalable, and cost-efficient method to prepare graphene using methane-based CVD on nickel films deposited over complete$\hbox{Si/SiO}_{2}$wafers. By usi…
High operating temperature and slow kinetics retard the practical applications of the Li-Mg-N-H system for hydrogen storage. To alleviate these problems, a first attempt was carried out by synthesizing Li(2)MgN(2)H(2) through sintering a mixture of Mg(NH(2))(2)-2LiNH(2) and investigating its size-dependent hydrogen st…
Series Preface. Preface. List of Contributors. Basic Properties, Defects and Impurities, Surface properties and Synthesis. 1 Basic Properties of Diamond: Phonon Spectra, Thermal Properties, Band Structure ( Gordon Davies ). 2 Transport Properties of Electrons and Holes in Diamond ( Jan Isberg ). 3 Point Defects, Impur…
We prepared rod-shaped gold nanorattles solid gold nanorods surrounded by a thin gold shell using a galvanic replacement process starting with silver-coated gold nanorods. These structures are very promising candidates for catalytic applications and optimized plasmon sensors. They combine the advantages of rods (low p…
Because of its excellent optical performance and electrical properties, TiO2 has a wide range of applications in many fields. It is often considered to be physiologically inert to humans. However, some recent studies have reported that nano-sized TiO2 may generate potential harm to the environment and humans. In this…
High-density arrays of perfectly aligned single-walled carbon nanotubes (SWNTs) consisting almost exclusively of semiconducting nanotubes were grown on ST-cut single crystal quartz substrates. Raman spectroscopy together with electrical measurements of field effect transistors (FETs) fabricated from the as-grown sampl…
This paper investigates the shape recovery behavior of thermoset styrene-based shape-memory polymer composite (SMPC) reinforced by carbon fiber fabrics, and demonstrates the feasibility of using an SMPC hinge as a deployable structure. The major advantages of shape-memory polymers (SMPs) are their extremely high recov…
Although many factors influence the quality of a macromolecular crystal structure, validation criteria are usually only calibrated using one of these factors, the resolution. For many purposes this is sufficient, but there are times when one wishes to compare one set of structures with another and the comparison may b…