First-principle study on optical properties of N-La-codoped anatase TiO

The electronic structures, deformation charge density, dipole moment, and optical properties of N-La-codoped anatase titanium dioxide (TiO2) are studied using the plane-wave ultrasoft pseudopotential method based on the density functional theory (DFT). The optical properties of two-ion-doped TiO2 are analyzed via electronic structures, deformation charge density, and dipole moment. For the model of N-La-doped TiO2 , a smaller atom fraction of N and La atoms induces better optical properties. The absorption edges of two doped TiO2 models redshift to the visible-light region.     

Dielectric loss of half-doped manganite Lao.sCao.sMnO3＊

The dielectric loss tanfi of half-doped manganite Lao.sCao.sMnO3 is investigated using Green＇s function technique. The Lao.sCao.sMnO3 is described by the Kondo-lattice model in the double exchange limit, taking into account the Jahn- Teller distortion and the super-exchange interaction between the localized electrons. It is found that the intensity of tans decreases with increasing [e]TI, V, and U. It is also observed that the transition temperature Tp rises as l eJTI and U increase. It is worth noting that Tp remains unchanged and the strength of tans increases with increasing g. The calculated dielectric loss results are explained theoretically, and these behaviors are in qualitative agreement with the experimental results.     

Enhancement of green emission by the codoping U . 3＋ A＋ （A - Li, Na, K） in Ca2 O3CI.Tb phosphor

Tb3＋-doped Ca2BO3C1 compounds with different charge compensation approaches are synthesized by a hightemperature solid-state reaction method, and the luminescent properties and Commission Internationale de l＇Eclairage （CIE） chromaticity coordinates are systematically characterized. Ca2BO3Cl：Tb3＋ can produce green emission under 376 nm radiation excitation. With codoped A＋ （A = Li, Na, K） as charge compensators, the relative emission intensities of Ca2BO3Cl：Tb3＋ are enhanced by about 1.61, 1.97, and 1.81 times compared with those of the direct charge balance, which is considered to be due to the effect of the difference in ion radius on the crystal field. The CIE chromaticity coordinates of Ca2BO3CI：Tb3＋, A＋ （A = Li, Na, K） are （0.335, 0.584）, （0.335, 0.585）, and （0.335, 0.585）, corresponding to the hues of green. Therefore, A＋ （A = Li, Na, K） may be the optimal charge compensator for Ca2BO3Cl：Tb3＋.     

Influences of Mg^2＋ ion on dopant occupancy and upconversion luminescence of Ho^3＋ ion in LiNbO3 crystal

The effects of a Mg^2＋ ion on the dopant occupancy and upconversion luminescence of a Ho^3＋ ion in LiNbO3 crystal are reported. The birefringence gradient of the crystal is measured to investigate the optical homogeneity. The X-ray powder diffraction spectrum and the upconversion luminescence are used to investigate defect structure and spectroscopic properties of Mg,Ho：LiNbO3. Under 808-nm excitation, blue, red, and very intense yellow-green bands are observed. Based on the energy levels of Ho^3＋ in LiNbO3, and the pump intensity dependence of the observed emission, an excitation scheme is presented. The upconversion emission spectra reveal an enhancement of upconversion intensity when the Mg^2＋ ions are introduced into Ho：LiNbO3. The main upconversion mechanism is discussed in this work.     

Metallic nanowires for subwavelength waveguiding and nanophotonic devices

Plasmonics is a rapidly developing field concerning light manipulation at the nanoscale with many potential applications, of which plasmonic circuits are promising for future information technology. Plasmonic waveguides are fundamental elements for constructing plasmonic integrated circuits. Among the proposed different plasmonic waveguides, metallic nanowires have drawn much attention due to the highly confined electromagnetic waves and relatively low propagation loss. Here we review the recent research progress in the waveguiding characteristics of metallic nanowires and nanowire-based nanophotonic devices. Plasmon modes of both cylindrical and pentagonal metallic nanowires with and without substrate are discussed. Typical methods for exciting and detecting the plasmons in metallic nanowires are briefly summarized. Because of the multimode characteristic, the plasmon propagation and emission in the nanowire have many unique properties, benefiting the design of plasmonic devices. A few nanowire-based devices are highlighted, including quarter-wave plate, Fabry-Prot resonator, router and logic gates.     

The effects of strain and surface roughness scattering on the quasi-ballistic characteristics of a Ge nanowire p-channel field-effect transistor

The effects of strain and surface roughness scattering on the quasi-ballistic hole transport in a strained gate-all-around germanium nanowire p-channel field-effect transistor （pFET） are investigated in this work. The valence subbands are shifted up and warped more parabolically by the influence of HfO2 due to the lattice mismatch. However, the boundary force only shifts the subbands downwards and has little effect on the reshaping of bands. Strain induced by HfO2 increases both the hole mobility and ON-current （/ON）, but has little effect on the hole mobility. The/ON is degraded by the surface roughness scattering in both strained and unstrained devices.     

Dielectric spectroscopy studies of ZnO single crystal

Dielectric relaxation and charge transport induced by electron hopping in ZnO single crystal are measured by using a novocontrol broadband dielectric spectrometer. Typical Debye-like dielectric relaxation originating from electronic hopping between electronic traps and conductive band in surface Schottky barrier region is observed for ZnO single crystal-Au electrode system. However, after insulation of ZnO single crystal by heat treatment in rich oxygen atmosphere, dielectric relaxation and alternating current conductance are observed simultaneously in the dielectric spectra, implying that dielectric relaxation and charge transport can be induced simultaneously by electronic hopping at high temperature in an ordered system. The intrinsic correlation between local dielectric relaxation and long range charge transport offers us a new method to explore complicated dielectrics.     

水热法合成Zn1-xMnxO：Sn和Zn1-x-yMnxCoyO：Cu晶体的磁性

本文采用水热法,以ZnO为前驱物,添加适量的MnCl2·4H2O、SnCl2·2H2O和MnCl2·4H2O、CoCl2·6H2O、CuCl2·2H2O,3 mol/L KOH作矿化剂,430℃反应24 h,分别合成了Zn1-xMnxO:Sn晶体和Zn1-x-yMnxCoyO:Cu晶体.用扫描电镜(SEM)对合成物形貌进行分析,结果表明,Zn1-MnxO:Sn晶体为六棱柱状晶体,直径约为10 μm,较大面积显露正极面c{0001},同时也显露负极面-c{0001}、正锥面p{1011}、负锥面-p{1011}和柱面m{1010}.Zn1-x-yMnxCoyO:Cu晶体也显露负极面-c{0001}、正锥面p{1011}、负锥面-p{1011}和柱面m{1010},{0001}显露面小于{0001}.X射线能谱(EDS)分析表明晶体主要成分为ZnO,Mn2 、Co2 离子掺杂量超过2%;SQUID磁性测量显示所合成晶体在25 K具有反铁磁特征,高温为顺磁性.     

镧钴镍复合氧化物催化剂的制备及催化甲烷燃烧活性研究

采用共沉淀法制备LaNi_1-xCo_xO₃系列催化剂(x=0,0.2,0.4,0.6,0.8,1.0),研究B位离子Co的掺杂对单钙钛矿LaNiO₃催化甲烷燃烧性能的影响。通过X射线衍射(XRD)、比表面积测定(BET)、程序升温还原(H₂-TPR)、扫描电镜(SEM)、热重分析(TG-DSC)等实验技术对催化剂的结构和性能进行考察,以催化甲烷燃烧为目标,考察其对催化剂性能的影响。研究结果表明：Co离子的掺杂会改变单钙钛矿的晶型结构,改善催化活性,当x=0.8时,LaNi_0.2Co_0.8O₃的催化甲烷燃烧活性最好,其比表面积为22.4 m^₂.g^_-1,T_10%(起燃温度)为475℃,T_90%(完全转化温度)为610℃,反应活化能最小,为91.4KJ/mol。