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。
Hydrogen-terminated diamond surfaces can be covalently modified with molecules bearing a terminal vinyl (C=C) group via a photochemical process using sub-band-gap light at 254 nm. We have investigated the photochemical modification of hydrogen-terminated surfaces of nanocrystalline and single-crystal diamond (111) to…
The sonochemical degradation rate of Methylene Blue (MB) is markedly increased in the presence of Fe(Ill), a rather inexpensive reagent for the application of sonochemistry to wastewater treatment. The effect of Fe(lll) is due to a sonochemically induced Fenton reaction, where both reactants (Fe(ll) and H2O2) are sono…
[Structure: see text]. Syntheses of soluble tetrabenzoporphyrins (TBP) and tetranaphtho[2,3]porphyrins (TNP), with multiple substituents in the conjugated aromatic rings but bearing no substituents in the meso-positions, is reported. Both types of porphyrins were obtained by direct aromatization of precursor porphyrin…
We have performed accurate \emph{ab--initio} pseudopotential calculations for the structural and electronic properties of ZnSe/GaAs(001) heterostructures with interface configurations accounting for charge neutrality prescriptions. Beside the simplest configurations with atomic interdiffusion we consider also some con…
We present a high-resolution computer simulation study of the equation of state of ST2 water, evaluating the liquid-state properties at 2718 state points, and precisely locating the liquid–liquid critical point (LLCP) occurring in this model. We are thereby able to reveal the interconnected set of density anomalies, s…
Recent experiments show CeMnNi$_{4}$ to have a nearly integer magnetic moment and a relatively large transport spin polarization, as probed by Andreev reflection, suggesting that the material is a half metal or close to it. However, the calculations reported here show that it is not a half metal at all, but rather a s…
Aiming to establish a rigorous link between macroscopic random motion (described e.g. by Langevin-type theories) and microscopic dynamics, we have undertaken a kinetic-theoretical study of the dynamics of a classical test-particle weakly coupled to a large heat-bath in thermal equilibrium. Both subsystems are subject…
A simple approximate solution to the linear response equations of time-dependent density functional theory (TDDFT) is given. This extends the single-pole approximation (SPA) to two strongly-coupled poles. The analysis provides both an illustration of how TDDFT works when strong exchange-correlation effects are present…
Experiments on fracture surface morphologies offer increasing amounts of data that can be analyzed using methods of statistical physics. One finds scaling exponents associated with correlation and structure functions, indicating a rich phenomenology of anomalous scaling. We argue that traditional models of fracture fa…
We study interacting electrons in a periodic potential and a uniform magnetic field ${\bf B}$ taking the spin-orbit interaction into account. We first establish a perturbation expansion for those electrons with respect to the Bloch states in zero field. It is shown that the expansion can be performed with the zero-fie…
The occurrence of spin polarization at ZrO 2 , Al 2 O 3 and MgO surfaces is proved by means of ab initio calculations within the density functional theory. Large spin moments, as high as 1.56 μ B , develop at O-ended polar terminations, transforming the non-magnetic insulator into a half-metal. The magnetic moments ma…
BiFeO 3 (BFO) thin films of pure perovskite phase were deposited on LaNiO3-buffered Pt∕TiOx∕SiO2∕Si (LNO) and Pt∕TiOx∕SiO2∕Si (Pt) substrates by RF magnetron sputtering. Highly (100)-oriented BFO film was coherently grown on LNO at a temperature as low as 300 °C. The crystal structure and the film/electrode interface…
Raman scattering measurements were conducted for a 4-aminobenzenethiol (4-ABT) monolayer assembled on a macroscopically smooth Au substrate. Although no peak was detected at the beginning, Raman peaks were distinctly observed by attaching Ag or Au nanoparticles onto the 4-ABT monolayer (Ag(Au)@4-ABT/Au(flat)). Conside…
Organic-inorganic hybrid films were prepared through layer-by-layer (LBL) deposition of poly(allylamine hydrochloride) (PAH) and ZrO(2) nanoparticles coated with poly(acrylic acid) (PAA), allowing facile control of surface roughness and hydrophobicity. Superhydrophobic behavior was observed after deposition of silica…
We present powder and single-crystal neutron diffraction and bulk measurements of the Kagome-staircase compound Ni3V2O8 (NVO) in fields up to 8.5T applied along the c-direction. (The Kagome plane is the a-c plane.) This system contains two types of Ni ions, which we call "spine" and "cross-tie". Our neutron measuremen…
We study the linear- and nonlinear-optical lineshapes of metal nanoparticles (theory) and metallic photonic crystal slabs (experiment and theory). For metal nanoparticle ensembles, we show analytically and numerically that femtosecond second- or third-harmonic-generation (THG) experiments together with linear extincti…
Rhodium (Rh) is found similar to Palladium (Pd) in making near-Ohmic electrical contacts to single-walled carbon nanotubes (SWNTs) with diameters d>∼1.6nm. Non-negligible positive Schottky barriers (SBs) exist between Rh or Pd and semiconducting SWNTs (S-SWNTs) with d<∼1.6nm. With Rh and Pd contacts, the…
The functional versatility of tetrapyrroles as natural cofactors is related to their conformational flexibility where manipulation of the macrocycle conformation allows a fine-tuning of their physicochemical properties. This feature article gives a personal account of the synthesis and solid state structural character…
The evaporation process for small, 1-2-mm-diameter droplets of water from patterned polymer surfaces is followed and characterized. The surfaces consist of circular pillars (5-15 microm diameter) of SU-8 photoresist arranged in square lattice patterns such that the center-to-center separation between pillars is 20-30…
A series of new alkoxy-amino-bis(phenols) (H2L 1-6) has been synthesized by Mannich condensations of substituted phenols, formaldehyde, and amino ethers or diamines. The coordination properties of these dianionic ligands towards yttrium, lanthanum, and neodymium have been studied. The resulting Group 3 metal complexes…