考虑互耦的半波振子线阵辐射和散射方向图综合

对于半波振子阵列天线,可用感应电动势法算得其阻抗矩阵,依据等效电路原理计入单元间的互耦计算辐射场.将其推广至考虑互耦的散射场计算,基于此辐射场和散射场的计算公式,提出一种考虑互耦同时综合半波振子阵列天线辐射和散射方向图的新方法.运用粒子群优化算法,通过优化振子的间距,同时综合指定辐射和散射方向图.运用该方法,通过对中心工作频率处的辐射和散射特性以及在威胁角度给定频带内的散射特性优化,有效降低半波振子阵在中心工作频率处的辐射和散射方向图的副瓣电平,并减小其在威胁角度给定频带内的雷达散射截面.计算结果与FEKO仿真结果吻合良好,验证方法的正确性.     

Magnetotransport Properties of a Nodal Line Semimetal TiSi

We report the magnetoresistance(MR), de Haas-van Alphen(dHvA) effect and Hall effect measurements on a single crystal of TiSi, which is predicted to be a nodal line semimetal. With application of a magnetic field, a metal-to-insulator-like transition in ρ(T) and a nonsaturating MR are observed at low temperatures. The dHvA oscillations reveal a small Fermi-surface pocket with a nontrivial Berry phase. The analysis of the nonlinear Hall resistivity shows that TiSi is a multiband system with low carrier densities and high mobilities. All these results unambiguously prove the existence of Dirac fermions in TiSi.     

NO在Ir(111)表面吸附与解离的第一性原理研究

本文系统研究了NO在Ir(111)表面的吸附,解离,以及可能的N_2生成机理.结果表明,顶位吸附的NO,其解离能垒较高(3.17 eV),不会发生解离,而三重Hcp和Fcc空位吸附的NO发生解离,能垒分别为1.23和1.28 eV.N_2是唯一的生成物,不会有副产物N_2O的产生.其最可能的反应路径为N和NO经过N_2O中间体而生成N_2,而不是直接N提取和N-N聚合产生N_2的机理.     

二氧化碳与不饱和烃的还原羧化反应

过渡金属催化CO₂参与的不饱和烃还原羧化反应是合成羧酸及丙烯酸类化合物的重要途径, 具有重要的研究价值和工业应用潜力．过渡金属试剂与不饱和烃、CO₂生成稳定的金属杂环内酯或金属羧酸盐．还原剂能够与金属杂环内酯或金属羧酸盐发生转金属作用, 重新生成活泼催化剂, 从而实现催化剂的循环利用．本文总结了还原剂, 包括有机金属试剂、硅烷、硼烷、金属粉末、甲醇和氢气等在不饱和烃与CO₂的还原羧化反应中的应用, 并着重描述其反应特点和反应机理.     

石墨相氮化碳的模板法制备、表征及光催化性能测试综合化学实验

采用简单原料（单氰胺、硅溶胶）利用模板法制备石墨相氮化碳,并对所得产物进行结构表征与形貌分析。采用光催化降解亚甲基蓝实验评价石墨相氮化碳的可见光催化性能,得到降解反应动力学方程与降解速率常数。通过实验,可使学生熟悉纳米材料可控制备中常用的模板法,对产物的测试与表征有利于加深学生对光催化材料结构与性能的了解。实验涉及多个学科领域,有利于拓宽学生知识面,培养学生科研创新能力。     

Direct Microwave Synthesis of 11-Type Fe(Te,Se) Polycrystalline Superconductors with Enhanced Critical Current Density

We report a direct microwave synthesis method for the preparation of 11-type high quality Fe(Te,Se) polycrystalline superconductors. The bulk samples are rapidly synthesized under the microwave irradiation during several minutes, with a subsequent annealing process at 400℃. The samples exhibit a nearly single phase of the tetragonal PbO-type crystal structure with minor impurities. Morphology characterization shows high density, tight grain connectivity and large grain sizes around 100 μm with small cavities inside the sample. Resistivity and magnetization measurements both show similar superconducting transitions above 14 K. The magnetic hysteresis measurements display broad and symmetric loops without magnetic background, and a high critical current density J_c about 1.2 × 10~4 A/cm~2 at 2 K and 7 T is estimated by the Bean model. Compared with the solidstate reaction synthesized samples, these superconducting bulks from microwave-assisted synthesis are possibly free of the interstitial Fe due to smaller c-axis, higher T_c in magnetic transitions, better M–H loops without magnetic background and greatly enhanced J_c, and are promising as raw materials for the non-toxic Fe-based superconducting wires for large currents and high field applications.     

Pressure effect in the Kondo semimetal CeRu_4Sn_6 with nontrivial topology

Kondo semimetal CeRu_4Sn_6 is attracting renewed attention due to the theoretically predicted nontrivial topology in its electronic band structure. We report hydrostatic and chemical pressure effects on the transport properties of single-and poly-crystalline samples. The electrical resistivity ρ(T) is gradually enhanced by applying pressure over a wide temperature range from room temperature down to 25 mK. Two thermal activation gaps estimated from high-and low-temperature windows are found to increase with pressure. A flat ρ(T) observed at the lowest temperatures below 300 mK appears to be robust against both pressure and field. This feature as well as the increase of the energy gaps calls for more intensive investigations with respect to electron correlations and band topology.     

密度泛函理论研究BeSin(n=1-12)团簇的结构、稳定性与电子性质

运用密度泛函理论(DFT),考虑多种初始构型下的自旋多重态,在B3LYP/6-311G基组水平上研究BeSi_n(n=1-12)团簇的平衡几何结构、电子性质、振动光谱与极化率.结果表明:BeSi_n团簇在基态附近有许多能量非常接近的同分异构体,且BeSi_n团簇的基态结构绝大多数为立体结构.n=1时,体系的基态为自旋三重态,n≥2时,则为单重态.铍原子的掺入使得主团簇的电子性质发生了明显的变化,掺杂使得体系的化学稳定性降低.BeSi₃,BeSi₅,BeSi₇与BeSi₉是幻数结构.团簇中原子间的成键相互作用随n的增大而增强.     

组分可控的浓缩法制备高锗组分SGOI的研究

高Ge组分的SiGe薄膜在应变硅、应变锗以及高速器件的应用前景十分广阔.本文以Si/SiGe/SOI(绝缘体上的硅)结构为初始样品,设计了系统性的氧化浓缩实验,通过大量的分析和参数调整,制备获得了不同组分比的绝缘体上锗硅(SiGe on insulator,SGOI)薄膜样品.结合X射线衍射(XRD)和拉曼光谱(Raman)等测试手段表征了制备样品的晶格质量和元素组分,其中Ge组分最高达到80.5;.综合分析表明:在适当的条件下,Ge组分和浓缩时间线性关系明显,浓缩制备SGOI材料可以做到组分可控性,为相关的进一步研究提供便利.