Electronic structures of halogen-doped Cu20 based on DFT calculationsElectronic structures of halogen-doped Cu20 based on DFT calculationsElectronic structures of halogen-doped Cu20 based on DFT calculations

In order to construct p-n homojunction of Cu20-based thin film solar cells that may increase its conversion efficiency, to synthesize n-type Cu20 with high conductivity is extremely crucial, and considered as a challenge in the near future. The doping effects of halogen on electronic structure of Cu20 have been investigated by density function theory calculations in the present work. Halogen dopants form donor levels below the bottom of conduction band through gaining or losing electrons, suggesting that halogen doping could make Cu20 have n-type conductivity. The lattice distortion, the impurity formation energy, the position, and the band width of donor level of Cu201-xHx （H = F, C1, Br, I） increase with the halogen atomic number. Based on the calculated results, chlorine doping is an effective n-type dopant for Cu20, owing to the lower impurity formation energy and suitable donor level.     

Continuous zircon-type tetragonal Y Bi0.95-xVO4： 0.05Dy^3＋ solid solution： synthesis,characterization, and optical properties

We synthesize continuous solid solutions with monophasic zircon-type structure of vanadates of formula YxBi0.95 VO4：0.05Dy^3＋ （x = 0-0.95） using a combined method of co-precipitation and hydrothermal synthesis. The X-ray diffractometer patterns confirm the formation of a solid solution of YBi0.95-xVO4：0.05Dy^3＋, and the results show that all the samples have monophasic zircon-type structure. The absorption spectra of the prepared phosphors show a blue-shift of the fundamental absorption band edge with increasing Y^3＋ content. An intense tunable characteristic emission of Dy^3＋ is observed with the increasing ratio of Y/Bi. Finally, the mechanism of luminescence of Dya＋ in the YBi0.95 VO4：0.05Dya＋ （x = 0-0.95） solid solution is analyzed and discussed.     

高效液相色谱法同时测定虫草素和腺苷

本文用微波法提取蛹虫草培养基和子实体中的虫草素及腺苷,并利用高效液相色谱法同时测定虫草素和腺苷.选择Inertsil ODS-SP柱(150×4.6 mm,5 μm)为色谱柱,乙腈-水为流动相,流速1.0 mL/min,柱温35℃,二极管阵列检测器(DAD)检测,检测波长260 nm,进样量10 μL.在2～10 μg...     

Continuous zircon-type tetragonal Y_xBi_(0.95-x)VO_4:0.05Dy~(3+) soli solution: synthesis,characterization, and optical properties

We synthesize continuous solid solutions with monophasic zircon-type structure of vanadates of formula YxBi0.95-xVO4:0.05Dy3+(x = 0–0.95) using a combined method of co-precipitation and hydrothermal synthesis. The X-ray diffractometer patterns confirm the formation of a solid solution of YxBi0.95-xVO4:0.05Dy3+, and the results show that all the samples have monophasic zircon-type structure. The absorption spectra of the prepared phosphors show a blue-shift of the fundamental absorption band edge with increasing Y3+ content. An intense tunable characteristic emission of Dy3+ is observed with the increasing ratio of Y/Bi. Finally, the mechanism of luminescence of Dy3+ in the Y3xBi0.95-xVO4:0.05Dy+(x = 0–0.95) solid solution is analyzed and discussed.     

乙醇、乙酸和水三元混合体系的近红外光谱分析

乙醇、乙酸和水具有极其相似的近红外吸收光谱。本文利用化学计量学方法研究了题示物质的近红外吸收光谱，结果表明，采用近红外光谱分析技术能够有效识别三元混合物。应用两元回归模型可预测三元混合物的组成，方法简便、测量准确、可靠，相对误差小于5％。     

Preparation and characterization of nanosized GdxBi0.95-xVO4：0.05Eu3＋ solid solution as red phosphor

A complete solid solutions with monophasic zircon-type structure of vanadates of formula GdxBio.95-xVO4：0.05Eu3＋ （x = 04）.95） are synthesized by combined method of co-precipitation and hydrothermal synthesis. Their microstructures and morphologies are characterized by X-ray powder diffraction and transmission electronic microscope, and the results show that each of all the samples has a monophasic zircon-type structure. The absorption spectrum of the prepared phosphor shows a blue-shift of the fundamental absorption band edge with increasing the gadolinium content. Under UV-light and visible-light excitation, all the prepared phosphors show the typical luminescence properties of Eu3＋ in the zircon-type structure. The emission intensity of GdxBi0.95-xVO4：0.05Eu3＋ （x = 0.55） is strongest in all samples under UV-light and visible-light excitations. Finally, the mechanisms of luminescence of Eu3＋ in the GdxBi0.95-xVO4：0.05Eu3＋ （x = 0-0.95） solid solutions are analyzed and discussed.     

Electronic structures of halogen-doped Cu2O based on DFT calculations

In order to construct p–n homojunction of Cu2O-based thin film solar cells that may increase its conversion efficiency, to synthesize n-type Cu2O with high conductivity is extremely crucial, and considered as a challenge in the near future. The doping effects of halogen on electronic structure of Cu2O have been investigated by density function theory calculations in the present work. Halogen dopants form donor levels below the bottom of conduction band through gaining or losing electrons, suggesting that halogen doping could make Cu2O have n-type conductivity. The lattice distortion, the impurity formation energy, the position, and the band width of donor level of Cu2O1 xHx(H = F, Cl, Br, I) increase with the halogen atomic number. Based on the calculated results, chlorine doping is an effective n-type dopant for Cu2O, owing to the lower impurity formation energy and suitable donor level.