Materials Literature
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We compare the main feature of the measured Raman-scattering spectra from single layer graphene with a bilayer in which the two layers are arbitrarily misoriented. The profiles of the two-dimensional (2D) bands are very similar in having only one component, contrary to the four found for commensurate Bernal bilayers.…
We report density functional calculations of the electronic structure and Fermi surface of the ${\text{BaFe}}_{2}{\text{As}}_{2}$ and LiFeAs phases including doping via the virtual-crystal approximation. The results show that contrary to a rigid-band picture, the density of states at the Fermi energy is only weakly do…
The Institute of Food Technologists has issued this Scientific Status Summary to inform readers of recent innovations in food packaging materials.
Local bond order parameters based on spherical harmonics, also known as Steinhardt order parameters, are often used to determine crystal structures in molecular simulations. Here we propose a modification of this method in which the complex bond order vectors are averaged over the first neighbor shell of a given parti…
We present a theoretical approach to calculate the molecular magnetic anisotropy parameters, ${D}_{M}$ and ${E}_{M}$ for single molecule magnets in any eigenstate of the exchange Hamiltonian, treating the anisotropy Hamiltonian as a perturbation. Neglecting intersite dipolar interactions, we calculate molecular magnet…
Abstract Self‐assembled porous media with a quasi‐regular structure offer the possibility to arrange nanoparticles/nanowires in three dimensions. The regular pore‐patterns of the matrix can be achieved in a certain regime, ranging between pore‐diameters of 40 nm up to 100 nm using the same doping density of the silico…
Water‐soluble acrylic was used as the binder of the water‐based (aqueous) slurry while polyvinyl butyral was the binder of the solvent‐based (nonaqueous) slurry. Both types of slurry exhibited shear thinning properties suitable for tape casting. The casting parameters for them were different when the same thick green…
Lead‐free (Na 0.52 K 0.48− x )(Nb 0.96− x Sb 0.04 )O 3 – x LiTaO 3 ceramics ( x =0.0375–0.0575) have been manufactured by a conventional solid‐state method. All compositions form solid solutions with a pure perovskite structure. A morphotropic phase boundary (MPB) between orthorhombic ( x ≤0.04) and tetragonal ( x ≥0.…
We have studied the structural, electronic and vibrational properties of the clathrates Ba 8 Al 16 Ge 30 and Ba 8 Al 16 Si 30 using the local density approximation (LDA). The equilibrium structures that we have obtained for these materials show that the Si-containing compound Ba 8 Al 16 Si 30 is energetically more sta…
Abstract The (nitrido)chromium(V) derivative [PW 11 O 39 {CrN}] 5– ( 1a ) was synthesized by the reaction of the monolacunary [H 3 PW 11 O 39 ] 4– polyanion with a {CrN} 2+ function generated in situ. The EPR spectrum of the formed polyoxometalate confirmed the presence of a paramagnetic Cr V complex, and the presence…
The evaluation of the self-heating propensity of a vegetable (or animal) oil may be of significant importance during the investigation of a fire. Unfortunately, iodine value and gas chromatographic-mass spectrometric analysis do not lead to meaningful results in this regard. To the contrary, differential scanning calo…
[(CH(3))(3)PH](3)[Sb(2)Cl(9)] experiences four phase transitions which were found by means of calorimetry, thermogravimetry and X-ray diffraction. The crystal structure was solved in the space group P6(3)/mmc at 382 K (phase I), Pnam at 295 K (phase II) and Pna2(1) at 175 K (phase V). We observed an unusual increase i…
A flexible friend: The electronic and structural changes undergone by Cu sites grafted inside an amorphous nanoporous P4VP matrix during a simple redox process (representing more complex liquid-phase catalysis) were investigated by complementary in situ techniques (FTIR, UV/Vis, XAS spectroscopy) (see scheme; brown Cu…
The molecular distribution in nanocolloids of poly(dimethyl siloxane) (PDMS) and an organic copolymer (methyl acrylate co-methyl methacrylate co-vinyl acetate) preserved in a frozen aqueous solution was investigated using cryovalence electron energy-loss spectroscopy (EELS) coupled with a scanning transmission electro…
In ${\text{LiNiO}}_{2}$, the ${\text{Ni}}^{3+}$ ions, with $S=1/2$ and twofold orbital degeneracy, are arranged on a triangular lattice. Using muon-spin relaxation and electron-spin resonance (ESR), we show that magnesium doping does not stabilize any magnetic or orbital order despite the absence of interplane ${\text…
A variety of medical applications require the proper characterization of the thermomechanical behaviors of skin tissue. However, few quantitative studies have been conducted on its temperature-dependent mechanical properties. This paper reports the tensile, compressive and viscoelastic behaviors of skin tissue under d…
The magnetic structures of the two bismuth oxy-phosphate compounds BiMPO 5 (M 2+ = Ni 2+ , Co 2+ ) have been determined by neutron powder diffraction using group theory analysis as a preliminary tool. Both compounds adopt a monoclinic crystal structure (S.G. P 2 1 / n , a = 7.1642(2) Å, b = 11.2038(3) Å, c = 5.1740(2)…
A theoretical description of the lamellar-in-lamellar self-assembly of binary A-b-(B-b-A)(m)-b-B-b-A multiblock copolymers in the strong segregation limit is presented. The essential difference between this binary multiblock system and the previously considered C-b-(B-b-A)(m)-b-B-b-C ternary multiblock copolymer syste…
Abstract A family of dinuclear and linear trinuclear Co/Pd pyrazolate compounds, namely, [Bu 4 N] 2 [Co 2 (μ‐4‐Cl‐3,5‐Me 2 ‐pz) 2 Cl 4 ] ( 1 ), [Bu 4 N] 2 [Co 2 (μ‐4‐Br‐3,5‐Me 2 ‐pz) 2 Br 4 ] ( 2 ), [Bu 4 N] 2 [Co 2 (4‐I‐3,5‐Me 2 ‐pz) 2 Cl 4 ] ( 3 ), [Et 4 N] 2 [Pd 2 Co(4‐Br‐3,5‐Me 2 ‐pz) 4 Cl 4 ] ( 4 ), [Et 3 NH] 4 […
Abstract Two new spin‐crossover complexes, [FeL1(phpy) 2 ] ( 1 ) and [FeL2(phpy) 2 ](phpy) ( 2 ), with L1 and L2 being tetradentate N 2 O 2 2– ‐coordinating Schiff‐base‐like ligands {L1 = ( E , E )‐[diethyl 2,2′‐[1,2‐phenylenebis(iminomethylidyne)]bis(3‐oxobutanoato)(2–)‐ N , N ′,O 3 ,O 3 ′], L2 = [(3,3′)‐[1,2‐phenyle…