Response characteristics of MAPbBr3 direct conversion X-ray detectors based on measurements and Monte Carlo simulation.

In recent years, higher requirements have been placed on the response characteristics of X-ray detectors in the field of medical diagnostic imaging. Due to this, high sensitivity, high attenuation coefficient and low cost detection materials need to be developed. In this paper, the geometric model of a detector was established by Geant4 code. The absorption efficiency and mass attenuation coefficient of MAPbBr3 crystals were calculated in the energy range of 30 keV to 100 keV. Compared with the mass attenuation coefficient of the NIST database, the deviation was within 1.39%. The signal charge number and detection sensitivity of the X-ray interaction with the MAPbBr3 crystal ware calculated. Compared with the CdTe crystal and α-Se, the MAPbBr3 crystal still had a larger detection sensitivity under a smaller applied electric field, which was approximately 9 times higher than that of α-Se. This result indicated that the detection sensitivity could be greatly improved by using a high atomic number and high charge mobility-lifetime product. Based on the simulation results, the 2 mm thick MAPbBr3 crystal exhibited the highest detection sensitivity at 60 keV X-rays, which was in agreement with the experimental results.

Structure and Physical Properties of the Layered Titanium-Based Pnictide Oxides (EuF)2Ti2Pn2O (Pn = Sb, Bi).

We report two novel titanium-based pnictide oxide compounds (EuF)2Ti2Pn2O (Pn = Sb, Bi), which are synthesized by replacing Sr2+ in (SrF)2Ti2Pn2O [Liu, R. H. Structure and Physical Properties of the Layered Pnictide-Oxides: (SrF)2Ti2Pn2O (Pn = As, Sb) and (SmO)2Ti2Sb2O. Chem. Mater. 2010, 22, 1503-1508] with Eu2+ using a solid-state reaction. (EuF)2Ti2Sb2O exhibits an obvious anomaly in resistivity and heat capacity at T ∼ 195 K, which may arise from the spin-density wave/charge-density wave instability. Similar features are also observed in BaTi2Pn2O, (SrF)2Ti2Pn2O, and Na2Ti2Pn2O (Pn = As and Sb) [Liu, R. H. Structure and Physical Properties of the Layered Pnictide-Oxides: (SrF)2Ti2Pn2O (Pn = As, Sb) and (SmO)2Ti2Sb2O. Chem. Mater. 2010, 22, 1503-1508, Ozawa, T. C. Chemistry of layered d-metal pnictide oxides and their potential as candidates for new superconductors. Sci. Technol. Adv. Mater. 2008, 9, 033003, Wang, X. F. Structure and physical properties for a new layered pnictide-oxide: BaTi2As2O. J. Phys.: Condens. Matter. 2010, 22, 075702, and Xu, H. C. Electronic structure of the BaTi2As2O parent compound of the titanium-based oxypnictide superconductor. Phys. Rev. B 2014, 89, 155108]. Magnetic susceptibility measurements indicate an antiferromagnetic transition at T ∼ 2.5 K for (EuF)2Ti2Sb2O. In particular, the electronic specific heat coefficients of both (EuF)2Ti2Sb2O and (EuF)2Ti2Bi2O are significantly enhanced compared to those of (SrF)2Ti2Pn2O, Na2Ti2Pn2O, and BaTi2Pn2O,1,5,6 which may be due to a strong electron correlation effect in this system. Thus, (EuF)2Ti2Pn2O (Pn = Sb, Bi) may provide new platforms for studying density wave, magnetic ordering, and electron correlation effects.

Tunable wave plates based on phase-change metasurfaces.

Wave plates based on metasurfaces have attracted intensive attention over the past decade owing to their compactness and design flexibility. Although various wave plates have been designed, their working wavelengths are fixed once they are made. Here we present a study on tunable wave plates based on phase-change metasurfaces made of Ge2Sb2Te5 nanopillar structures. The Ge2Sb2Te5 nanopillars can work as a high-efficiency transmissive half- or quarter-wave plate depending on their structural parameters. The working wavelength of wave plate can be tuned via the phase transition of Ge2Sb2Te5. Moreover, the polarization state of the transmitted light at a fixed wavelength can be modified by changing the crystallinity of Ge2Sb2Te5. The features suggest that tunable wave plates may have applications in optical modulators, molecular detection, and polarimetric imaging.

Tandem C-H oxidation/cyclization/rearrangement and its application to asymmetric syntheses of (-)-brussonol and (-)-przewalskine E.

Natural products are a vital source of lead compounds in drug discovery. Development of efficient tandem reactions to build useful compounds and apply them to the synthesis of natural products is not only a significant challenge but also an important goal for chemists. Here we describe a tandem C-H oxidation/cyclization/rearrangement of isochroman-derived allylic silylethers, promoted by DDQ and InCl3. This method allows the efficient construction of tricyclic benzoxa[3.2.1]octanes with a wide substrate scope. We employ this tandem reaction to achieve the asymmetric total syntheses of (-)-brussonol and (-)-przewalskine E.

Spontaneous formation of hierarchical wrinkles in Cr films deposited on silicone oil drops with constrained edges.

We report on the spontaneous formation of hierarchical wrinkling patterns in Cr films deposited on silicone oil drops with constrained edges. The appearance of the wrinkling patterns is strongly dependent on the film thickness and the size of the silicone oil drop. Because the Cr film at the drop edge is constrained due to the strong adhesion between the film and the glass surface, the wrinkle wavelength merely depends on the distance starting from the drop edge. When the distance increases, the wavelength increases quickly first, and then it slows down gradually in compliance with a simple power law. The evolution of the wrinkle amplitude is similar to that of the wavelength, but it is also closely related to the film thickness and the oil drop size. Based on the fact that the silicone oil is polymerized to form an elastic layer during deposition, the formation and evolution of the hierarchical wrinkling patterns have been analyzed in detail.

Strain driven enhancement of ferroelectricity and magnetoelectric effect in multiferroic tunnel junction.

The strain effect on the ferroelectric and magnetoelectric coupling in multiferroic tunnel junction (MFTJ) Co/BaTiO3/Co has been investigated systematically by using first-principles calculations within density functional theory. It is found that both in-plane compressive strain and uniaxial tensile strain lead to the enhancement of ferroelectric polarization stability and intensity of magnetoelectric coupling in the MFTJ. There is a transition from the paraelectric phase to the ferroelectric phase for the BaTiO3 layer in MFTJ when the loaded in-plane compressive strain increases up to -2.8% and the corresponding average ferroelectric polarization is about 0.13 C m(-2). Meanwhile, the calculated surface magnetoelectric coefficients increase with increasing in-plane compressive strain. Similar phenomena have been also observed in the case of uniaxial tensile strain implemented in MFTJ. The results suggest that the ferroelectric polarization and magnetoelectric coupling in multiferroic tunnel junctions can be controlled by strain and we expect that this study can provide a theoretical basis for the design of spintronic devices.

Regiodivergent annulation of alkynyl indoles to construct spiro-pseudoindoxyl and tetrahydro-ß-carbolines.

Regiodivergent annulations of 3-phenoxy alkynyl indoles have been developed and tuned by protective groups through gold catalysis. With electron-donating protective groups, the substrate followed a C3-selective annulation and gave structurally interesting tetrahydro-ß-carboline derivatives possessing potential bioactivity. Using electron-withdrawing protective groups, the substrate underwent a C2-selective annulation and afforded the structurally useful spiro-pseudoindoxyl found in natural indole alkaloids. Notably, an interesting and unusual 1, 2-migration of the phenoxy group was found in the C3-selective process.

CdZn2KB2O6F, a new fluoride borate crystal.

During an attempt to grow crystals of the nonlinear optical material Cd(3)Zn(3)B(4)O(12) using a KBF(4) flux, crystals of a new cadmium dizinc potassium borate fluoride compound, CdZn(2)KB(2)O(6)F, were unexpectedly isolated. The structure consists of layers constructed of distorted corner-sharing ZnO(3)F tetrahedra and BO(3) triangles. Both Zn and B reside on threefold rotation axes, while the F(-) anion is located at a site of 3.2 symmetry. The Cd(II) (site symmetry 3) and K(+) (site symmetry 3.2) ions occupy six- and nine-coordinate interlayer sites, respectively. The BO(3) triangles and ZnO(3) pyramids from the ZnO(3)F tetrahedra share bridging O atoms with each other to form an extended [ZnBO(3)] layer parallel to (001). Although these layers are similar to the [MBO(3)] layers seen in other compounds, they are uniquely bridged here by the Cd centres and F(-) anions to form a three-dimensional framework. In so doing, a series of channels is formed along the [010] direction and the K(+) cations are found in these channels.

LaZnB(5)O(10), the first lanthanum zinc borate.

Lanthanum zinc penta-borate, LaZnB(5)O(10), was synthesized by flux-supported solid-state reaction. It is a member of the LnMB(5)O(10) (Ln = rare earth ion and M = divalent metal ion) structure type. The crystal shows a three-dimensional structure constructed from two-dimensional {[B(5)O(10)](5-)}(n) layers with the lanthanum (coordination number nine) and zinc (coordination number six) ions filling in the inter-layers.