Predicted High Thermoelectric Performance of Quasi-Two-Dimensional Compound GeAs Using First-Principles Calculations

The electronic structure of binary quasi-two-dimensional GeAs is investigated using first-principles calculations, and it is found that the anisotropic structure of the layered compound GeAs brings about the anisotropy of the transport properties. Meanwhile, the band structure of GeAs exhibits a relatively large dispersion near the valence-band maximum in the Z –V direction while it is rather flat in the Z –Γ direction, which is highly desirable for good thermoelectric performance. The calculated partial charge density distribution also reveals that GeAs possesses anisotropic electrical conductivity. Based on the semi-classical Boltzmann transport theory, the anisotropic transport properties are observed, and the optimal doping concentrations are estimated. The temperature dependence transport properties of p-type GeAs are compared with the experimental data in good agreement, and the theoretical figure-of-merit ZT has been predicted as well.

A method based on diffraction theory for predicting 3D focusing performance of compound refractive X-ray lenses

A method based on the diffraction theory for estimating the three-dimensional (3D) focusing performance of the compound refractive X-ray lenses is presented in this paper. As a special application, the 3D X-ray intensity distribution near the focus is derived for a plano-concave compound refractive X-ray lens. Moreover, the computer codes are developed and some results of 3D focusing performance for a compound refractive X-ray lens with Si material are shown and discussed.

A theoretical method based on Fourier spectrum analysis for the focusing performances of the X-ray compound refractive lenses

It is important to predict the intensity distribution in focusing plane for designing the X-ray compound refractive lenses. On the basis of analyzing the structure of X-ray compound lenses and comparing it with Praunhofer diffraction system, it is concluded that the X-ray focusing system can be regarded as a kind of Praunhofer diffraction system. Therefore, a method based on Fourier spectrum analysis is presented to predict the intensity distribution in the focusing plane for the X-ray lenses. A brief analysis on the relationship between the parameters of X-ray lenses and their focusing performance is also given in this paper.

Synthesis and Characterization of Lignin Grafting Modification-based Aliphatic Superplasticizer

Lignin as the main component of black liquor is generally employed to modify aliphatic superplasticizer（AFS）. However, the modification effect is hard to evaluate correctly due to the uncertain molecular structure of lignin and the disturbance from the complexity of black liquor compositions. In this paper, the purified lignin via acid precipitation from straw black liquor is used to modify AFS. The modified AFS named as LAFS for short presents lower molecular mass than AFS. It is assumed that it is due to the single active site of guaiacol segments in lignin by which lignin graft modifies AFS in virtue of methylolation reaction. In order to verify this assumption, guaiacol and dihydro eugenol as the typical segments of lignin macromolecule were selected, respectively, as the simplified model compounds of lignin to modify AFS, and corresponding products are abbreviated in GAFS and DAFS. Both GAFS and DAFS show the lower molecular mass than unmodified AFS. FTIR and TG-DTG analyses prove that lignin is successfully grafted onto AFS. The graft modification of lignin results in a decrease in electrostatic epulsion, but an enhanced steric hindrance. Therefore, although the replacement rate of lignin in LAFS was about 23.3%, the dispersion performance was only slightly affected.

A facile preparation and electrochemical properties of nickel based compound-graphene sheet composites for supercapacitors

Composites of a nickel based compound incorporated with graphene sheets （NiBC-GS） are prepared by a simple flocculation, using hydrazine hydrate as flocculant and reductant, from a homogeneous intermixture of nickel dichloride and graphene oxide dispersed in N,N-dimethylformamide. Morphology, microstructure and thermal stability of the obtained products were characterized by field-emission scanning electron microscopy, X-ray diffraction and thermal gravimetric analysis. Furthermore, the electrochemical properties of NiBC-GS, as electrode materials for supercapacitors, were studied by cyclic voltammetry and galvanostatic charge]discharge in 2 mol L 1 KOH solution. It was determined that for NiBC-GS annealed at 250 ~C, a high specific capacitance of 2394 F g 1 was achieved at a current density of 1 A g^-1, with 78% of the value （i.e., 1864 F g^-1） retained after 5000 times of repeated galvanostatic charge/discharge cycling. The high specific capacitance and available charge/discharge stability indicate the synthesized NiBC-GS250 composite is a good candidate as a novel electrode material for supercapacitors.