Darstellung und Kristallstrukturen der Verbindungen CaPtGa,CaPtIn und CaPd0,4Ga1,6

Preparation and Crystal Structures of the Compounds CaPtGa, CaPtIn and CaPd_0.4Ga_1.6 The new compounds CaPtGa, CaPtIn and CaPd_0.4Ga_1.6 were prepared by heating appropriate mixtures of the elements under an Ar-atmosphere. The results of the structural analysis of single crystals by means of X-ray diffraction are given in the section ?Inhaltsübersicht”?. CaPtGa and CaPtIn are isotypic and form the TiNiSi type structure (Pnma), where the Pt-atoms have a distorted tetrahedral environment consisting of Ga- resp. In-atoms. CaPd_0.4Ga_1.6 crystallizes in the CeCu₂-type structure (Imma), the Cu positions being statistically occupied by Pd- and Ga-atoms.     

Spinodal Composition of the System Water + Chloroform + Acetic Acid at 25 °C

A theoretical spinodal curve for the system water + chloroform + acetic acid at 25 °C is derived using a lattice model for ternary amphiphilic solutions: rod-like molecules covering the bonds of the honeycomb lattice with three-body interactions between the molecular ends associated to the same lattice site. The molecular model is equivalent to the standard Ising model on the same lattice; its mean-field solution is the most appropriate for reproducing, by local fitting, the experimental data for the binodal composition. The derived spinodal curve is in very good agreement with the spinodal composition determined also in the present work from the measured diffusion coefficients recently reported for the same system.     

Ternary Organic Solar Cells Based on Two Non‐fullerene Acceptors with Complimentary Absorption and Balanced Crystallinity

The ternary blend structure has been demonstrated as an effective approach to increase the power conversion efficiency of organic solar cells. An effective approach to enhance the power conversion efficiency of ternary solar cells is based on two non‐fullerene acceptors with complimentary absorption range and balanced crystallinity. In this work, we have introduced a high crystallinity small‐molecule acceptor, named C8IDTT‐4Cl with appropriate alkyl side chains into a low crystalline blend of conjugated polymer donor PBDT‐TPD and fused‐ring electron acceptor ITIC‐4F. A ternary device based on the blend PBDT‐TPD:ITIC‐4F:C8IDTT‐4Cl exhibits a best power conversion efficiency of 9.51% with a simultaneous improvement of the short‐circuit current density to 18.76 mA·cm^–2 and the fill factor up to 67.53%. The absorption onset for C8IDTT‐4Cl is located at 900 nm, so that the well complementary light absorption is beneficial to the photocurrent. In addition, the existence of high crystallinity C8IDTT‐4Cl in the ternary device is found helpful to modulate crystallinity, improve heterojunction morphologies and stacking structure, therefore to realize higher charge mobility and better performance.     

Optical and transport properties of Cd0.8Zn0.2S:Cu compounds prepared by modified chemical co-precipitation method

Cd_0.8Zn_0.2S bulk compound doped with different concentrations of copper have been prepared by chemical co-precipitation (CCP-I) and modified CCP method (CCP-II). The structural, optical and electrical properties of Cd_0.8Zn_0.2S:Cu compounds grown by these methods have been investigated by using XRD, SEM, EDAX, UV spectroscope and DC electrical conductivity techniques. X-ray diffraction studies on Cd_0.8Zn_0.2S compounds doped with various mole% of copper revealed that they possessed polycrystalline nature with hexagonal structure. SEM micrographs taken on samples grown by CCP-I showed that the crystallites have needle like shape and no such regular shape was observed on CCP-II grown samples and in both of them the crystallite size varied differently with the variation in the concentration of copper. The energy gap of a sample grown by CCP-II, evaluated from optical absorption studies, are more than that of the sample grown by CCP-I. This may be attributed to the variation observed in the crystallite sizes of the respective sample grown by two methods. Further, the electrical conductivity variations in CCP-I and II samples were explained based on E_g value, crystallite size and grain boundary conduction in the samples. The activation energies of both CCP-I and II samples were explained on the basis of the differences in their preparation methods. Finally, it was concluded that the CCP-II method is more suitable to grow Cd_0.8Zn_0.2S:Cu compounds with uniform average crystallite size and energy gap for low doping concentration of Cu (∼4 mole%).     

The mixed-spin ternary-alloy in the form of ABpC1−p on the Bethe lattice

The AB_pC_1−p type of mixed ferromagnetic-ferrimagnetic ternary-alloy with A (spin-3/2), B (spin-1) and C (spin-5/2) ions was studied on the Bethe lattice with the odd numbered shells containing only A ions, while the even numbered shells either containing B or C ions randomly. The phase diagrams were obtained on the (R=|J_AC|/J_AB,kT_c/J_AB) and (p, kT_c/J_AB) planes for given values of p and R, respectively, with the coordination numbers z=3, 4, 5 and 6. The explicit dependence of the phase diagrams on z and each shell of the Bethe lattice having only one type of ion lead to some differences when compared with the previous works. The model presents one or two compensation temperatures for appropriate values of the system parameters.     

Metallovesicular catalytic hydrolysis of p-nitrophenyl picolinate catalyzed by zinc(II) complexes of pyridyl ligands in vesicular solution

The hydrolysis of p-nitrophenyl picolinate (PNPP) catalyzed by the Zn(II) complexes of 6-(n-butyloxymethyl)-2-(hydroxymethyl)pyridine and 6-(n-dodecyloxymethyl)-2-(hydroxymethyl)pyridine was kinetically investigated by observation of the rates of release of p-nitrophenol in a vesicular solution at different pH values and temperatures. A 1:1 ligand:Zn²⁺ stoichiometry was found to produce the most active species based on a kinetic version of the Job plot analysis. Experimental results also showed that the complex formed from ligand 2 and Zn²⁺ exhibited a more remarkable rate acceleration effect on the hydrolysis of PNPP in vesicular solution than that formed from ligand 1 and Zn²⁺.     

Improving performance of a five-zone simulated moving bed chromatography for ternary separation by simultaneous use of partial-feeding and partial-closing of the product port in charge of collecting the intermediate-affinity solute molecules

The performance of a five-zone simulated moving bed (SMB) chromatographic process for ternary separation has been improved to a certain extent in previous researches by applying either a partial-feeding (PF) or a partial-closing of the extract-2 port (PCE(2)) to its operation. To make a further improvement, the strategy of applying both PF and PCE(2) simultaneously to the five-zone SMB operation was proposed in this study. The results from both equilibrium-theory analysis and detailed simulation proved that the proposed strategy, which was called PF-PCE(2) in this article, had the benefit of a synergy between the individual merits of PF and PCE(2) in the five-zone SMB performance. As a consequence, the PF-PCE(2) mode could surpass the PF and the PCE(2) modes by a wide margin and the standard mode by a much wider margin in the aspects of ternary-separation performance and throughput. For the separation system considered, the PF-PCE(2) mode was found to achieve more than 100% improvement, compared to the standard mode. Furthermore, such advantage of the PF-PCE(2) over all the other modes was greater as the selectivity between the intermediate-affinity and the highest-affinity components was reduced.     

Ternary system Er–Ni–In at T=870 K

Isothermal section of the Er–Ni–In system at T=870 K was constructed by means of X-ray powder diffraction and EDX-analyses. Nine ternary compounds, namely ErNi₉In₂ (YNi₉In₂-type), Er_1−1.22Ni₄In_1−0.78 (MgCu₄Sn-type), Er₁₀Ni_9.07In₂₀ (Ho₁₀Ni₉In₂₀-type), ErNi_1−0.60In_1−1.40 (ZrNiAl-type), Er₂Ni₂In (Mn₂AlB₂-type), Er₂Ni_1.78In (Mo₂FeB₂-type), Er₅Ni₂In₄ (Lu₅Ni₂In₄-type), Er₅Ni₂In (Mo₅SiB₂-type), and Er_13.53Ni_3.14In_3.33 (Lu₁₄Co₂In₃-type), exist in the Er–Ni–In system at this temperature. The substitution of Ni for In was observed for ErNi_1−0.60In_1−1.40 and In for Er in the case of related compounds ErNi₂ and ErNi₄In. Er can enter NiIn (CoSn-type) leading to including-substitution type of compound Er_0−0.12NiIn_1−0.89. Basic magnetic properties of the Er_0.04NiIn_0.97, ErNi₂, Er_0.9Ni₂In_0.1, and ErNi₄In phases were inspected. Electrical-resistivity studies were performed on the ErNiIn, ErNi_0.9In_1.1, and ErNi₄In phases.     

Superconductivity—a source of surprises

Superconductivity is ascribed to a tendency of pairwise localization of conduction electrons. As a necessary condition in k space bands with very small as well as large dispersion need to be present at the Fermi level (“flat band/steep band”). The sufficient condition is a strong enough coupling of the flat band states to specific phonons in case of phonon-mediated superconductivity. The electron–phonon coupling parameter λ reveals a peak structure in the phonon q-space. These aspects are discussed for actual examples, e.g., rare earth carbides and carbide halides as well as MgB₂.     

Multiple Phases of Molybdenum Carbide as Electrocatalysts for the Hydrogen Evolution Reaction

Molybdenum carbide has been proposed as a possible alternative to platinum for catalyzing the hydrogen evolution reaction (HER). Previous studies were limited to only one phase, β‐Mo₂C with an Fe₂N structure. Here, four phases of Mo‐C were synthesized and investigated for their electrocatalytic activity and stability for HER in acidic solution. All four phases were synthesized from a unique amine–metal oxide composite material including γ‐MoC with a WC type structure which was stabilized for the first time as a phase pure nanomaterial. X‐ray photoelectron spectroscopy (XPS) and valence band studies were also used for the first time on γ‐MoC. γ‐MoC exhibits the second highest HER activity among all four phases of molybdenum carbide, and is exceedingly stable in acidic solution.