未钝化和H钝化GaN纳米线的电子结构

用密度泛函理论研究直径为9.5Å,15.9Å和22.5Å,未钝化和H钝化GaN纳米线的能带和态密度.结果表明:未钝化和H钝化GaN纳米线的能隙都是直接带隙,未钝化GaN纳米线的禁带宽度随着直径的增加减小,但是变化不明显,H钝化GaN纳米线的禁带宽度随着直径增大也是减小的,但是减小的幅度比未钝化的大.未钝化GaN纳米线表面N原子的2p电子主要聚集在价带顶,表面Ga原子的4p电子主要聚集在导带底,这两种电子都具有很强的局域性,而且决定着能隙值;加H钝化可以消除表面原子产生的表面效应.     

基于ZnO纳米线的螺旋线形跨尺度葡萄糖传感器

制备了一种基于螺旋线形跨尺度结构的酶传感器, 并对该传感器进行了表征和性能测试. 将ϕ 30 μm键合Au丝以螺旋线方式手工缠绕在ϕ 125 μm光纤纤芯上, 在该Au螺旋线上用水浴法合成ZnO纳米线, 得到螺旋线形跨尺度结构; 在ZnO纳米线上物理吸附葡萄糖氧化酶(GOD), 制备了葡萄糖传感器工作电极. 利用扫描电子显微镜(SEM)图像和MatLab图像处理算子分别对螺旋线形跨尺度结构表面形貌及其上活力为50 units/mg的GOD吸附效果进行了定性和定量表征, 分析了非高斯粗糙表面与GOD吸附效果的影响关系. 基于三电极体系采用循环伏安法和计时安培法测试了制备的12个工作电极的性能, 测得该类传感器的灵敏度为(1.410±0.665) μA·L/(mmol·cm²), 线性范围为0~(4.292±0.652) mmol/L, Michaelis-Menten常数为(3.571±1.280) mmol/L, 检出限为(14.085±8.393) μmol/L. 使用活力更高的GOD可以得到性能更好的螺旋线形跨尺度葡萄糖传感器. 该类传感器可广泛应用于医药、 生物、 食品加工及环境监测领域中尿酸、 尿素、 胆固醇、 过氧化氢和苯酚等的检测.     

负载二氧化钛纳米线多孔钛镍合金的制备及应用

通过高温真空烧结法和水热反应法成功制备了表面负载有二氧化钛纳米线的开孔泡沫钛镍合金电极. 多孔钛镍合金的烧结温度为1473 K, 时间为2 h; 水热反应温度为373 K, 反应时间为16 h. 利用X射线粉末衍射分析(XRD)和扫描电镜(SEM)对负载二氧化钛纳米线开孔泡沫钛镍合金进行了表征. 将该泡沫电极作为阳极, 泡沫镍为阴极组成串联水处理装置, 并利用甲基橙溶液研究了该装置电解净化污水的能力. 利用紫外-分光光度法研究了不同阳极电压下钛镍合金对甲基橙的分解能力. 研究表明, 在阳极氧化电压大于30 V的条件下, 甲基橙溶液以200 mL/min的流速一次性流经该装置便可使甲基橙的脱色率达90%以上.     

碳纳米管表面金纳米线的结构与热稳定性分析

用分子动力学方法研究了覆盖在碳纳米管表面的金原子所形成的结构及其热稳定性. 研究结果表明,金原子在碳纳米管表面能形成多样而稳定的结构：当金原子覆盖率低于15.91% 时,形成金纳米颗粒; 当原子覆盖率为15.91%~104.98% 时,形成一系列的壳层结构; 而当原子覆盖率大于104.98% 时,则呈现晶体金的面心立方结构. 在对有碳纳米管支撑的金纳米壳层结构的热稳定性进行研究后, 发现其熔点高于金纳米颗粒的熔点而且低于金纳米线的熔点.     

Structure of Lennard–Jones nanowires encapsulated by carbon nanotubes

Molecular dynamics simulations have been performed to investigate the structures of Lennard–Jones(LJ) nanowires(NWs) encapsulated in carbon nanotubes(CNTs). We find that the structures of NWs in a small CNT only adopt multi-shell motifs, while the structures of NWs in a larger CNT tend to adopt various motifs. Among these structures, three of them have not been reported previously. The phase boundaries among these structures are obtained regarding filling fractions, as well as the interaction between NWs and CNTs.     

An analytical model for the critical shell thickness in core/shell nanowires based on crystallographic slip

Employing crystal plasticity theory and micromechanics inclusion theory, we developed a full-strain relaxation model under isotropic assumption of materials properties to predict the dependence of the critical shell thickness (CST) for defect-free core/shell nanowires (NWs) on their growth direction. Unlike prior models, we consider three important factors in the energetic analysis (1) the self-energy of a dislocation loop in a finite domain, (2) the three-dimensional mismatch strains that develop in core/shell NWs (axial, radial and tangential directions) as a result of the finite NW geometry and the lattice mismatch between the core and shell materials, and (3) the three-dimensional plastic strains from misfit dislocations that nucleate to relax the mismatch strains. With these, the full-relaxation model is able to reveal that (i) the variation of the CST with growth direction depends on the core radius, (ii) misfit dislocations will not nucleate when the core radius falls below a critical value, (iii) the CST tends to a constant as the core radius increases, and (iv) the CST predicted by prior uniaxial-strain relaxation models is a lower bound.     

前驱体法制备氮氧化硅纳米线及其光学性能研究

在Ni催化剂的存在下,通过SiCl4的水解氨解反应并在1300℃氨气气氛中进行热氮化处理制得了无定形氮氧化硅纳米线.产物经X射线衍射(XRD)、热重-差示扫描量热(TG-DSC)、扫描电镜(SEM)、透射电镜(TEM)、能量色散谱(EDS)和选区电子衍射(SAED)等表征手段进行分析,结果表明纳米线为无定形结构,直径为100～150nm.在波长为220nm的光激发下,产物的光致发光光谱(PL)在563nm和289nm处分别出现了一个强的绿光发光峰和一个弱的紫光发光峰.对纳米线的生长机理进行分析,表明纳米线的生长遵循气-液-固(VLS)机制控制模式.     

Synthesis of hexagonal monocrystal AlN microtubes and nanowires at low temperature

This paper reports that pure hexagonal aluminium nitride microtubes and nanowires growing along the [0001] direction have been successfully synthesized by directly reacting AlClh-AlN, microtubes, nanowires,h-AlN, microtubes, nanowiresProject supported by the National Natural Science Foundation of China (Grant No 10474078) and the Science Foundation of the Education Office of Shanxi Province, China.2006-11-23This paper reports that pure hexagonal aluminium nitride microtubes and nanowires growing along the [0001] direction have been successfully synthesized by directly reacting AlCl3 with NaN3 at low temperature （450℃） under condition of non-solvent system. The grey-white powder of reacting product was characterized by high-resolution transmission electron microscope （HRTEM）, which shows that the powder is long straight-wire morphology with outer diameter from 40nm to 300 nm and length up to several micrometres. The results of both electron diffraction （ED） and x-ray diffraction （XRD） indicate that the AlN microtubes have a pure hexagonal monocrystal tubular structure with the combination of the curled AlN nanobelts. Room-temperature photoluminescence spectrum of the synthesized sample showed an emission peak, which is closely related to the small size of the microtubes.     

液晶模板法制备Au纳米线

利用非离子表面活性剂C₁₂E₄的层状液晶作为模板,以氯金酸(HAuCl₄)水溶液作为体系的水相和反应物,并利用C₁₂E₄中EO基团的还原性制备了Au的纳米线.研究表明,反应物的浓度、液晶体系的组成和反应时间都将影响产物的形貌.在适当条件下,可以得到直径约为20nm,长度达到几微米的均匀金纳米线,并探讨了纳米线形成过程中层状液晶的模板作用.     

A New Compound—Nanoline K2Ti8O15

In the product of carbon made from tar oil by plasma pyrogenation, some nanowires, whose diameter is 9~20 nm and whose length is 300 nm were found. The result of X-ray Energy Dispersed Spectrum (EDS) indicated that it is a new compound K2Ti8O15, which has never been reported before. Compared with the corresponding stoichiometry compound K2Ti8O15, it is a non-stoichiometry compound in which two oxygen atoms are absent. It is due to the fact that the intensive deoxidization occured in the experimental process and the valence of titalium is alterable. Its microstructure in detail by high revolution electromicroscopy (HREM) and X-ray diffraction were studied.