XPS and UPS study on band alignment at Pt-Zn-terminated ZnO(0 0 0 1) interface

The interface between Pt and Zn-terminated ZnO(0 0 0 1) was investigated by X-ray and ultra violet photoelectron spectroscopy in order to examine electronic band alignment. An angle-resolved X-ray photoelectron spectroscopy measurement of the clean ZnO(0 0 0 1) surface has revealed a downward band bending by 0.25 eV. The results of the valence band analysis show that the work function and the valence band maximum of clean ZnO(0 0 0 1) were 4.49 eV and 2.79 eV, respectively. Platinum was then deposited in several deposition steps onto a clean ZnO(0 0 0 1) surface up to 0.6 nm in thickness. After the deposition, the binding energy of Zn 2p doublet peak was shifted towards lower value by 0.77 eV, and the measured work function changed to 5.51 eV. As a result, the Schottky barrier height of Pt/ZnO(0 0 0 1) interface was 1.11 eV.     

No-Cloning Theorem,Kochen-Specker Theorem,and Quantum Measurement Theories

The usual no-cloning theorem implies that two quantum states are identical or orthogonal if we allow a cloning to be on the two quantum states. Here, we investigate a relation between the no-cloning theorem and the projective measurement theory that the results of measurements are either + 1 or − 1. We introduce the Kochen-Specker (KS) theorem with the projective measurement theory. We result in the fact that the two quantum states under consideration cannot be orthogonal if we avoid the KS contradiction. Thus the no-cloning theorem implies that the two quantum states under consideration are identical in that case. It turns out that the KS theorem with the projective measurement theory says a new version of the no-cloning theorem. Next, we investigate a relation between the no-cloning theorem and the measurement theory based on the truth values that the results of measurements are either + 1 or 0. We return to the usual no-cloning theorem that the two quantum states are identical or orthogonal in the case.

     

Representation of Multicomponent Liquid-Liquid Equilibria for Aqueous and Organic Solutions Using a Modified UNIQUAC Model

A modified form of the UNIQUAC model is presented to accurately reproducebinary phase equilibria and ternary and quaternary liquid-liquid equilibria ofaqueous and organic solutions. The model gives a good representation in thereproduction of binary coexistence curves over a wide temperature range usingtemperature-dependent parameters and of binary vapor-liquid equilibria usingtwo binary energy parameters, and in the correlation of ternary and quaternaryliquid-liquid equilibria using ternary and quaternary parameters, in addition tobinary parameters. The quaternary calculated results are compared with thoseobtained from the modified Wilson and extended UNIQUAC models.     

Arching a bay area of triphenyleno[1,12-bcd]thiophene with group 14 functionalities: Synthesis of the first triphenylene derivatives having thiophene and metallafluorene moieties

Arching a bay area of triphenyleno[1,12-bcd]thiophene with group 14 functionalities gave the first triphenylene derivatives whose two pairs of bay carbons are connected by two different heteroatom functionalities. Triphenyleno[1,12-bcd:4,5-b′c′d′]dithiophene, which had been only accessible through the very severe reaction conditions, was synthesized under the mild reaction conditions. Photophysical properties of newly-obtained heterolotriphenylene derivatives are discussed with theoretical calculations.     

Ferromagnetism and spin reorientation in Sm12Fe14Al5

The single crystal of the new ternary compound Sm₁₂Fe₁₄Al₅ was grown and its crystallographic and magnetic properties were investigated. Sm₁₂Fe₁₄Al₅ has a hexagonal structure of the space group p-3m1 and shows ferromagnetism with a Curie temperature of 245 K. The easy direction of magnetization is parallel to the c-axis at temperatures between 245 and 85 K; however, it changes to the c-plane below 85 K through a first-order-like phase transition. No saturation is observed in the magnetization curve even under the applied field of 55 kOe at 5 K. Sm₁₂Fe₁₄Al₅ seems to have a large coercive field at very low temperatures. The anisotropy field was estimated at 5 and 120 K and the saturation magnetization of low temperature phase is explained assuming a ferromagnetic coupling between Fe and Sm sublattices.     

SDOVS: A solvent dipole ordering‐based method for virtual screening

We previously reported that solvent dipole ordering (SDO) at the ligand binding site of a protein indicates an outline of the preferred shape and binding pose of the ligands. We suggested that SDO‐mimetic pseudo‐molecules that mimic the 3D shape of the SDO region could be used as molecular queries with a shape similarity matching method in virtual screening. In this work, a virtual screening method based on SDO, named SDOVS, was proposed. This method was applied to virtual screening of ligands for four typical drug target proteins and the performance compared with that of FRED (well‐known rigid docking method); the efficiency of SDOVS was demonstrated to be better than FRED. © 2010 Wiley Periodicals, Inc. J Comput Chem, 2010     

Survey of Chalcogenide Superconductors

The thread that runs through all research in the field of superconductivity is new physics through discovery of new materials. The knowledge of superconducting materials has become voluminous and complex. The comprehensive review of the superconducting materials is of particular importance. The main purpose of this report is to present the results of classification for chalcogenide superconductors. Superconducting critical temperature T_c, crystal-structure type and the references proper to these compounds are summarized. Brief survey of the superconductivity in chalcogen elements is also given. Furthermore, as representative sulfide and selenide, superconducting characteristics of CuRh₂S₄ and CuRh₂Se₄ will be shown.This revised version was published online in November 2005 with corrections to the Cover Date.     

Proline-catalyzed asymmetric addition reaction of 9-tosyl-3,4-dihydro-beta-carboline with ketones

[reaction: see text] 9-Tosyl-3,4-dihydro-beta-carboline (1) reacted with a ketone in the presence of (S)-proline as a catalyst to give the corresponding addition product in good yield and high enantioselectivity. In the process, a small amount of water was found to affect the stereoselectivity of the products. The system was applied to reaction of compound 1 and 3-buten-2-one to give 3,4,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-2-one, which is a versatile precursor for the synthesis of some indole alkaloids.