Materials Literature
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Binuclear metal-to-metal charge-transfer (MMCT) moieties consisting of a Ti and a Cu(I) or a Ti and a Sn(II) center were obtained in a MCM-41 silicate sieve along with isolated metal centers when exposing Ti-grafted MCM-41 to Cu(I) or Sn(II) precursors featuring highly labile CH3CN ligands. Fourier transform infrared…
A self-condensing vinyl polymerization (SCVP) strategy via atom transfer radical polymerization (ATRP) was employed to grow hyperbranched macromolecules on the surfaces of multiwalled carbon nanotubes (MWNTs). The MWNT surface fixed with ATRP initiators [MWNT-COOCH 2 CH 2 OCOC(CH 3 ) 2 Br, MWNT-Br] was prepared by rea…
We present a new icosahedral gold fullerene, Au42, based on density functional theory calculations. The Au42 fullerene has a nanoscale hollow space that can hold up to 13 Au atoms. The Au42 fullerene also has a larger HOMO-LUMO gap compared to the compact-filling geometries. However, unlike the known gold fullerene Au…
M‐doped zinc oxide (ZnO) (M=Al and/or Ni) thermoelectric materials were fully densified at a temperature lower than 1000°C using a spark plasma sintering technique and their microstructural evolution and thermoelectric characteristics were investigated. The addition of Al 2 O 3 reduced the surface evaporation of pure…
Abstract Since the death of Prof. Dr. Jan Czochralski nearly 50 years ago, crystals grown by the Czochralski method have increased remarkably in size and perfection, resulting today in the industrial production of silicon crystals about 30 cm in diameter and two meters in length. The Czochralski method is of great tec…
The structures of the nitric oxide and dinitrogen tetroxide sorption complexes of dehydrated fully Cd2+-exchanged zeolite X (FAU) have been determined using single-crystal X-ray diffraction in the cubic space group Fdm at 21(1) degrees C. Ion exchange was accomplished by allowing an aqueous stream 0.05 M in Cd2+ to fl…
The phase behavior of charged rods in the presence of interrod linkers is studied theoretically as a model for the equilibrium behavior underlying the organization of actin filaments by linker proteins in the cytoskeleton. The presence of linkers in the solution modifies the effective interrod interaction and can lead…
An ideal atomistic model of a disordered material should contradict no experiments, and should also be consistent with accurate force fields (either ab initio or empirical). We make significant progress toward jointly satisfying both of these criteria using a hybrid reverse Monte Carlo approach in conjunction with app…
Abstract In this study, several flame retardants (FRs), containing phosphorus, nitrogen, and silicon, were synthesized. These synthesized FRs were blended with polypropylene (PP) to obtain mixture samples. The flame‐retardant properties of these mixture samples were estimated by the limiting oxygen index (LOI) value a…
Experiments investigating the local viscoelastic properties of a chemically cross-linked polymer are performed on polyacrylamide solutions in the sol and the gel regimes using polystyrene beads of varying sizes and surface chemistry as probes. The thermal motions of the probes are measured to obtain the elastic and vi…
In this paper, we demonstrate, through asymptotic expansions, the convergence of a phase field formulation to model surfaces minimizing the mean curvature energy with volume and surface area constraints. Under the assumption of the existence of a smooth limiting surface, it is shown that the interface of a phase field…
Nickel–zinc ferrites of various compositions, Ni 1− x Zn x Fe 2 O 4 where x =0.2, 0.4, 0.5, and 0.6 investigated in the present work, have been prepared by the citrate precursor method. The complex permittivity (∈′− j ∈″) and permeability (μ′− j μ″) of the ferrites were measured at X‐band (8–12 GHz) microwave frequenc…
The magnetic properties of Fe/Ag granular multilayers were examined by SQUID magnetization and Mossbauer spectroscopy measurements. Very thin (0.2 nm) discontinuous Fe layers show superparamagnetic properties that can be tailored by the thickness of both the magnetic and the spacer layers. The role of magnetic interac…
We present an analysis of the time evolution of self-interstitial atom and vacancy (point defect) populations in pure bcc metals under constant irradiation flux conditions. Mean-field rate equations are developed in parallel to a kinetic Monte Carlo (kMC) model. When only considering the elementary processes of defect…
The heat flux autocorrelation functions of carbon nanotubes (CNT's) with different radii and lengths are calculated using equilibrium molecular dynamics with periodic boundary conditions. The thermal conductance of CNT's is also calculated using the Green-Kubo formula from linear response theory. By pointing out an am…
The increasing scientific and technological interest in nanoparticles has raised the need for fast, efficient and precise characterization techniques. Powder diffraction is a very efficient experimental method, as it is straightforward and non-destructive. However, its use for extracting information regarding very sma…
Low-temperature scanning tunneling spectroscopy is used to study electronic structure and dynamics of d-like surface states of trivalent lanthanide metals from La to Lu. The magnetic exchange splitting of these states is found to scale with the 4f spin multiplied by an effective exchange-coupling constant that increas…
The spectral representation is an effecient tool to explore electrical properties of material mixtures. It separates the contributions of geometrical topology and intrinsic properties of the constituents in the system. The aim of this paper is to derive an expression for the spectral density representation, which favo…
In this response, we report the results of additional experiments that bear on the issues raised in the comment by Eerenstein et al . ([ 1 ][1]) and suggest some additional possible reasons for the results they have obtained. In Wang et al . ([ 2 ][2]), we reported on the ferroelectric and magnetic
The synthesis and characterization of porous graphitic carbon materials via chemical vapor deposition (CVD) using various mesoporous silicas including SBA-12, SBA-15, MCM-48, MCM-41, and HMS as solid templates is presented. The use of acetonitrile as carbon precursor generates N-doped carbon (CNx type) materials with…