Materials Literature
按标题、摘要、年份、主题和来源检索公开元数据。结果保留作者、摘要、分类与原始来源链接。
It is known that solid tumors recruit new blood vessels to support tumor growth, but the molecular diversity of receptors in tumor angiogenic vessels might also be used clinically to develop better targeted therapy. In vivo phage display was used to identify peptides that specifically target tumor blood vessels. Sever…
This paper presents an investigation on the humidity sensitivity of deposited multi-walled carbon nanotube (MWCNT) networks using ac dielectrophoresis (DEP) between interdigitated electrodes (IDEs). MWCNTs dispersed in ethanol were trapped and enriched between IDEs on a Si/SiO(2) substrate under a positive DEP force.…
Thirteen members of a new class of low molecular-mass organogelators (LMOGs), amides, and amines based on (R)-12-hydroxystearic acid (HSA; i.e., (R)-12-hydroxyoctadecanoic acid) and the properties of their gels have been investigated by a variety of structural and thermal techniques. The abilities of these LMOGs, mole…
TbMnO(3) films have been grown under compressive strain on (001)-oriented SrTiO(3) crystals. They have an orthorhombic structure and display the (001) orientation. With increasing thickness, the structure evolves from a more symmetric (tetragonal) to a less symmetric (bulk-like orthorhombic) structure, while keeping c…
The formation of atomic nanoclusters on suspended graphene sheets has been investigated by employing a molecular dynamics simulation at finite temperature. Our systematic study is based on temperature-dependent molecular dynamics simulations of some transition and alkali atoms on suspended graphene sheets. We find tha…
Doped ZnO is a promising material for spintronics applications. For such applications, it is important to understand the spin dynamics and particularly the spin relaxation times of this II-VI semiconductor. The spin relaxation time ${\ensuremath{\tau}}_{s}$ has been measured by optical orientation experiments, and it…
We report kelvin to millikelvin-temperature measurements of dissipation and frequency shift in megahertz-range resonators fabricated from ultra-nanocrystalline diamond. Frequency shift $δf/f_0$ and dissipation $Q^{-1}$ demonstrate temperature dependence in the millikelvin range similar to that predicted by the glass m…
The magnetic properties in the parent compounds are often intimately related to the microscopic mechanism of superconductivity. Here we report the first direct measurements on the electronic structure of a parent compound of the newly discovered iron-based superconductor, BaFe2As2, which provides a foundation for furt…
PURPOSE: The efficacy of drug delivery systems can be enhanced by making them target specific via the attachment of various ligands. We attempted to enhance tumor accumulation and therapeutic effect of doxorubicin-loaded, long-circulating, polyethylene glycol-coated liposomes (Doxil, ALZA Corp.) by coupling to their s…
Spin is an intrinsically quantum property, characterized by angular momentum. A change in the spin state is equivalent to a change in the angular momentum or mechanical torque. This spin-induced torque has been invoked as the intrinsic mechanism in experiments ranging from the measurements of angular momentum of photo…
We use kinetic Monte Carlo simulations to understand growth- and etching-induced step bunching of 6H-SiC{0001} vicinal surfaces oriented towards [1-100] and [11-20]. By taking account of the different rates of surface diffusion on three inequivalent terraces, we reproduce the experimentally observed tendency for singl…
The simple alkali metal Na, that crystallizes in a body-centred cubic structure at ambient pressure, exhibits a wealth of complex phases at extreme conditions as found by experimental studies. The analysis of the mechanism of stabilization of some of these phases, namely, the low-temperature Sm-type phase and the high…
We provide a straightforward and numerically efficient procedure to perform local density approximation + Hubbard I (LDA+HIA) calculations, including self-consistency over the charge density, within the full potential linearized augmented plane wave (FP-LAPW) method. This implementation is all-electron, includes spin-…
Using first-principles density functional theory calculations combined with insight from a tight-binding representation, dynamical mean field theory, and linear response theory, we have extensively investigated the electronic structures and magnetic interactions of nine ferropnictides representing three different stru…
Non-adiabaticity in adsorption on metal surfaces gives rise to a number of measurable effects, such as chemicurrents and exo-electron emission. Here we present a quantitative theory of chemicurrents on the basis of ground-state density-functional theory (DFT) calculations of the effective electronic potential and the…
Helical multishell gold nanowire is studied theoretically for the formation mechanism of helical domain boundary. Nanowires with the wire length of more than 10 nm are relaxed by quantum mechanical molecular dynamics simulation with tight-binding form Hamiltonian. In results, non-helical nanowires are transformed into…
We study the ferroelectric stability and surface structural properties of an oxygen-terminated hexagonal YMnO3 ultrathin film using density functional theory. Under an open circuit boundary condition, the ferroelectric state with the spontaneous polarization normal to the (0001) surface is found to be metastable in a…
We analyze the magnetic and electronic properties of the quantum critical heavy fermion superconductor beta-YbAlB4, calculating the Fermi surface and the angular dependence of the extremal orbits relevant to the de Haas--van Alphen measurements. Using a combination of the realistic materials modeling and single-ion cr…
A rapid, solventless method is described for the decoration of carbon nanotubes with metal nanoparticles. The straightforward two-step process utilizes neither reducing agents nor electric current and involves the dry mixing of a precursor metal salt (e.g., a metal acetate) with carbon nanotubes (single- or multi-wall…
A comprehensive phase diagram of lowest-energy structures and compositions of the rutile ${\text{TiO}}_{2}(110)$ surface in equilibrium with a surrounding gas phase at finite temperatures and pressures has been determined using density-functional theory in combination with a thermodynamic formalism. The exchange of ox…