Influence of nano-material on the expansive and shrinkage soil behavior

One-dimensional nanoribbons, thickness of which is smaller than width, exhibit special confinement and edge effects far from uniform in the cross-section. By means of density functional theory, we investigated the influence of the edges and doping positions on the electronic structure of Ag-doped ZnO armchair nanoribbons (ZnOANRs). Ag doping in monolayer and bilayer ZnOANRs (m- and b-ZnOANRs) have all been examined. The results indicated that there is no significant difference on the stability of Ag doping in different positions of both m- and b-ZnOANRs, but exhibits very different electronic properties directly related to the different doping positions. The depth of the acceptor states has essential relationship with the interaction between host O 2p and Ag 4d states in the acceptor. Ag substituting Zn atoms at the inner region of m-ZnOANRs could create shallow acceptors with small hole effective masses, benefit for p-type conduction. Ag doping in the inner region of b-ZnOANRs would create shallow acceptors but larger hole effective masses. The difficulty of hole mobility could be improved by increasing the Ag doping concentration in b-ZnOANRs. The discussion about the mechanism and the suggestion about the achievement in the experiment are interesting and timely.     

Structural,electronic properties and stability of Ag-doped GaAs nanowires: First-principles study

First-principles computations have been addressed to determine the effects of Ag substitution to the structural, electronic properties and stability of Ag-doped GaAs NW. Our results show that the substitutional Ag energetically prefers to substitute the surface Ga (E_f=−0.529 eV) under As-rich conditions and introduces a much shallow (0.19 eV above the Fermi) acceptor level, which is of typical p-type behavior. With the increase in the Ag concentration, the p-type character gradually weakens and n-type character arises. Thus, one can expect to synthesize Ag-doped GaAs NWs for p-type or n-type applications with the control of Ag concentration and its microarrangement.     

氧化锌纳米线的紫外光耦合增强场电子发射特性

本文采用热化学气相沉积方法制备氧化锌纳米线阵列, 研究氧化锌纳米线阵列在紫外光辐照下的场电子发射特性. 实验结果表明, 在紫外光辐照下, 氧化锌纳米线场发射开启电压降低, 发射电流明显增大. 机理分析认为, 氧化锌纳米线紫外光增强的场发射源自场电子发射与半导体耦合作用, 紫外光激发价带电子跃迁到导带和缺陷能级使发射电子数量增加, 同时, 光生电子发射降低了发射材料表面的有效功函数, 从而显著增强场电子发射性能. 氧化锌纳米线具有紫外光耦合增强场电子发射特性, 在光传感、冷阴极平板显示和场发射电子源等方面具有潜在的应用价值.     

介电力显微镜探测氧化锌纳米线表面吸附分子对电导率的影响

利用场效应晶体管器件和介电力显微镜来研究氧化锌纳米线表面吸附分子对其电导率的影响. 相比于空气中,ZnO纳米线场效应晶体管器件在氮气中电导率更高,介电力显微镜得的介电信号也是在氮气中更大. 影响ZnO纳米线电导率变化的主要原因是表面吸附分子数量的变化,而并不是电极与材料之间接触性质的变化.     

微流控技术制备ZnO纳米线阵列及其气敏特性

利用微流控技术在微通道中制备了Zn O纳米线阵列,通过X射线衍射和扫描电子显微镜分别对纳米线的物相和表面形貌进行了表征.结果发现,合成的Zn O纳米线具有良好的c轴择优取向性和结晶度.同时,对Zn O纳米线阵列在丙酮、甲醇和乙醇气体中的气敏特性进行了研究,测试结果表明:在最佳工作温度(475?C)下,纳米线阵列对200 ppm(1 ppm=10-6)丙酮气体的最大灵敏度可达8.26,响应恢复时间分别为9和5 s;通过与传统水热法制备的Zn O纳米线的气敏性能相比较发现,基于微流控技术制备的纳米线阵列具有更高的灵敏度和更快的响应恢复速度.最后,从材料表面氧气分子得失电子的角度对Zn O纳米线气敏机理进行了讨论.     

Effects of S incorporation on Ag substitutional acceptors in ZnO:(Ag, S) thin films

Ag–S codoped ZnO thin films have been fabricated on Si substrates by radio frequency (RF) magnetron sputtering using a thermal oxidation method. XRD and SEM measurements showed that the sample has hexagonal wurtzite structure with a preferential (002) orientation and the surface is composed of compact and uniform grains. Ag_Zn–nS_O defect complexes were observed in the Ag–S codoped ZnO films by XPS analysis. Low temperature PL spectra showed neutral acceptor bound exciton emission related to Ag_Zn–nS_O. The corresponding acceptor ionization energy of 150 meV is much lower than that of monodoped Ag (246 meV), which is favorable for p-type doping of ZnO.     

Ag掺杂氧化锌纳米材料的制备及高压相变拉曼光谱研究

宽禁带直接带隙半导体材料氧化锌（ZnO）,具有优异的光电性能、机械性能和化学特性。ZnO材料的结构对其性能影响较大,元素掺杂可改变ZnO晶体结构和带隙宽度,是提升ZnO材料性能的有效手段,当前常用Ag掺杂ZnO即为提高光催化反应效率。高压独立于温度、成分,是调控材料结构组织性能的重要手段,是产生新材料、发现新调控原理的重要因素。该研究通过对比纯ZnO晶体和Ag掺杂ZnO晶体的高压相变行为,揭示了元素掺杂对ZnO纳米晶体材料结构性能的影响。研究首先采用水热法辅助制备纯ZnO纳米微球和Ag掺杂ZnO纳米微球（1∶150Ag/ZnO）,表征结果显示水热法合成的纯ZnO和1∶150Ag/ZnO均为六角纤锌矿晶体结构,形貌均为几十纳米尺寸小颗粒堆积形成的微球,ZnO晶格常数随着Ag离子掺杂而变大,Ag掺杂导致ZnO晶格膨胀。随后应用金刚石压腔结合原位拉曼光谱技术测定了纯ZnO和Ag掺杂ZnO的高压结构相变行为。相比于纯ZnO拉曼峰,Ag掺杂ZnO的E₂（high）振动模式439 cm-1拉曼峰峰宽变窄,并呈现向低频方向移动的趋势,与无定形ZnO谱峰相近,表明Ag+取代Zn2+影响了Zn-O键,同时也影响了ZnO晶格结构的长程有序性。随体系压力增大,表征六角纤锌矿结构ZnO的拉曼特征峰439 cm-1出现瞬间弱化和宽化。压力增大至9.0 GPa时,纤锌矿结构ZnO拉曼特征峰439 cm-1消失,585 cm-1处出现新峰,ZnO晶体发生由六角纤锌矿向岩盐矿的结构转变。压力继续增大至11.5 GPa,新的拉曼峰显著增强,峰形变窄,同时向高波数方向移动,相变完成,岩盐矿结构ZnO性能稳定。1∶150 Ag/ZnO从六角纤锌矿结构到立方岩盐结构的相变压力为7.2 GPa,低于纯ZnO。相变压力降低表明晶体结构稳定性下降,可能的原因在于掺杂Ag导致ZnO晶格膨胀,晶体结构松弛,两相相对体积变化增加,从而导致相变势垒降低,使样品在较低压力下发生相变。纳米材料的高压研究揭示了元素掺杂对材料结构稳定性的影响,是纳米材料调控原理的潜在研究手段。     

First-Principles Calculation of Electronic Structure and Optical Properties of Sb-Doped ZnO

The geometric structure, electronic structure, optical properties and the formation energy of Sb-doped ZnO with the wurtzite structure are investigated using the first-principles ultra-soft pseudo-potential approach of plane wave based upon the density functional theory. The calculated results indicate that the volume of ZnO doped with Sb becomes larger, and the doping system yields the lowest formation energy of Sb on the interstitial site and the oxygen site. Furthermore, Sb dopant first occupies the octahedral oxygen sites of the wurtzite structure. It is found that Sb substituting on oxygen site behaves as a deep acceptor and shows the p-type degenerate semiconductor character. After doping, the electron density difference demonstrates the considerable electron charge density redistribution, which induces the effect of Sb-doped ZnO to increase the charge overlap between atoms. The density of states move towards lower energy and the optical band gap is broadened. Our culated results are in agreement with other experimental results and could make more precise monitoring and controlling possible during the growth of ZnO p-type materials.     

Ag-N共掺p型ZnO的第一性原理研究

采用基于密度泛函理论的第一性原理赝势法对Ag-N共掺杂ZnO体 系以及间隙N和间隙H掺杂p型ZnO: (Ag, N)体系的缺陷形成能和离化能进行了研究. 结果表明, 在Ag_Zn和N_O所形成的众多受主复合体中, Ag_Zn-N_O受主对不仅具有较低的缺陷形成能同时其离化能也相对较小, 因此, Ag_Zn-N_O受主对的形成是Ag-N共掺ZnO体系实现p型导电的主要原因. 研究发现, 当ZnO: (Ag, N)体系有额外间隙N原子存在时, Ag_Zn-N_O受主对容易与N_i形成Ag_Zn-(N₂)_{m O}施主型缺陷, 该施主缺陷的形成降低了Ag-N共掺ZnO的掺杂效率因而不利于p型导电. 当间隙H引入到ZnO: (Ag, N)体系时, H_i易与Ag_Zn-N_O受主对形成 受主-施主-受主复合结构(Ag_Zn-H_i-N_O), 此复合体的形成不仅提高了Ag_Zn-N_O受主对在ZnO中的固溶度, 同时还能使其受主能级变得更浅而有利于p型导电. 因此, H辅助Ag-N共掺ZnO可能是一种有效的p型掺杂手段. 关键词： p型ZnO 缺陷形成能 受主离化能 第一性原理     

氧化锌薄膜光电功能材料研究的关键问题

氧化锌薄膜光电功能材料是近年来新发展起来的研究课题,由于它在短波长光电信息功能材料方面具有潜在的应用前景而备受关注.为了开发ZnO结型光电器件,目前首先需要解决高质量ZnO单晶薄膜的外延及p型掺杂等关键问题.综合国内外的研究结果,结合我们的工作,叙述了利用多晶格匹配原理通过过渡层在Si衬底上异质外延高质量ZnO薄膜,介绍了用SiC作过渡层生长ZnO薄膜的有关问题.对ZnO的p型掺杂,分析了制备p型ZnO的困难和利用Ⅲ-Ⅴ族共掺杂方法生长p型ZnO的作用和优点.     

Controllable hydrothermal synthesis of ZnO nanowires arrays on Al-doped ZnO seed layer and patterning of ZnO nanowires arrays via surface modification of substrate

ZnO nanowire (NW) arrays are assembled on the Al-doped ZnO (AZO) seed layer by a hydrothermal process. Effects of the temperature and growth time of the hydrothermal process on morphological and photoluminescence properties of the as-assembled ZnO NW arrays are characterized and studied. Results indicate that the length and diameter of the ZnO NWs increase with a lengthening of the growth time at 80 °C and the hydrothermal temperature has a significant effect on the growth rate and the photoluminescence properties of the ZnO NW arrays. The patterned AZO seed layer is fabricated on a silicon substrate by combining a sol-gel process with an electron-beam lithography process, as well as a surface fluorination technique, and then the ZnO NW arrays are selectively grown on those patterned regions of the AZO seed layer by the hydrothermal process. Room-temperature photoluminescence spectra of the patterned ZnO NW arrays shows that only a strong UV emission at about 380 nm is observed, which implies that few crystal defects exist inside the as-grown ZnO NW arrays.     

Electrical properties and Raman scattering investigation of Ag doped ZnO thin films

Ag-doped ZnO thin films were deposited on quartz glass substrates by a radio-frequency (RF) magnetron sputtering technique at room temperature (RT). The influence of Ag doping content on the electrical and Raman scattering properties of ZnO films were systematically investigated by Hall measurement system and Raman scattering spectrum. Two additional local vibrational modes (LVMs) at 230.0 and 394.5 cm^?1 induced by Ag dopant in ZnO:Ag films were observed by Raman analyses at RT, corresponding to Ag atoms located at O sites (LV M_Zn?Ag) and Zn sites (LV M_Ag?O) in ZnO lattice. Moreover, we further studied the effect of donor Ag_O and acceptor Ag_Zn defects on the electrical properties of ZnO:Ag films. The results indicate that O-rich condition is preferred to suppress the formation of Ag_O defects and enhance Ag_Zn defects. The p-type ZnO:Ag film was achieved by properly optimizing the annealing conditions under O-rich condition.     

Functionalized Pd/ZnO Nanowires for Nanosensors

A method for surface doping and functionalization of ZnO nanowires (NWs) with Pd (Pd/ZnO) in a one‐step process is presented. The main advantage of this method is to combine the simultaneous growth, surface doping, and functionalization of NWs by using electrochemical deposition (ECD) at relatively low temperatures (90 °C). Our approach essentially reduces the number of technological steps of nanomaterial synthesis and final nanodevices fabrication with enhanced performances. A series of nanosensor devices is fabricated based on single Pd/ZnO NWs with a radius of about 80 nm using a FIB/SEM system. The influence of Pd nominal composition in Pd/ZnO NW on the H₂ sensing response is studied in detail and a corresponding mechanism is proposed. The results demonstrate an ultra‐high response and selectivity of the synthesized nanosensors to hydrogen gas at room temperature. The optimal concentration of PdCl₂ in the electrolyte to achieve extremely sensitive nanodevices with a gas response (S_H2) ≈ 1.3 × 10⁴ (at 100 ppm H₂ concentration) and relatively high rapidity is 0.75 µM. Theoretical calculations on Pd/ZnO bulk and functionalized surface further validated the experimental hypothesis. Our results demonstrate the importance of noble metal presence on the surface due to doping and functionalization of nanostructures in the fabrication of highly‐sensitive and selective gas nanosensors operating at room temperature with reduced power consumption.     

Tip‐enhanced Raman spectroscopy using single‐crystalline Ag nanowire as tip

We report the surface‐enhanced Raman scattering (SERS) effect from the apex of single‐crystalline Ag nanowires (NWs). We also fabricated tip‐enhanced Raman spectroscopy (TERS) tips by attaching individual Ag NWs to W wires by using the alternating current dielectrophoresis (AC‐DEP) method. The single‐crystalline Ag NW tips could overcome many of the shortcomings of conventional TERS tips. Most importantly, the results obtained from TERS using single‐crystalline metal NWs are very reproducible, and the tips are also reusable. This development represents a significant progress in making TERS a reliable optical characterization technique with nanometer spatial resolution. Copyright © 2010 John Wiley & Sons, Ltd.     

银纳米线表面等离激元波导的能量损耗

金属纳米结构的表面等离激元可以突破光学衍射极限,为光子器件的微型化和集成光学芯片的实现奠定基础.基于表面等离激元的各种基本光学元件已经研制出来.然而,由于金属结构的固有欧姆损耗以及向衬底的辐射损耗等,表面等离激元的传输能量损耗较大,极大地制约了其在纳米光子器件和回路中的应用.研究能量损耗的影响因素以及如何有效降低能量损耗对未来光子器件的实际应用具有重要意义.本文从纳米线表面等离激元的基本模式出发,介绍了它在不同条件下的场分布和传输特性,在此基础上着重讨论纳米线表面等离激元传输损耗的影响因素和测量方法以及目前常用的降低传输损耗的思路.最后给出总结以及如何进一步降低能量损耗方法的展望.表面等离激元能量损耗的相关研究对于纳米光子器件的设计和集成光子回路的构建有着重要作用.     

Length effects on tensile behavior of Au-Ag heterostructured nanowires with the load on different ends: A molecular dynamics study

The tensile process of nanowires (NWs), in which one end of a NW is fixed, and the load is applied to the other end, is investigated via molecular dynamics (MD). Here, we pay attention to length-dependent mechanical properties of heterostructured Au-Ag NWs under the above tensile form. It was discovered that all the samples became stronger except for the shortest one with the length of 4 nm and the load on the Ag end with the decrease of length. Meanwhile, we found that all samples with the load on Ag ends outperformed the same NWs with the load on Au ends in terms of yield strengths and elongations. Meanwhile, the NWs with the load on Ag ends may exhibit a better performance in terms of conductivity. A reasonable analysis from the perspective of radial distribution function has been developed to explain above phenomena.     

Characteraction of Ag-doped ZnO thin film synthesized by sol–gel method and its using in thin film solar cells

Pure 2% and 4% Ag-doped ZnO thin films have been synthesized on glass substrates by sol–gel method. The structure, morphology and optical properties of the samples have been studied by X-ray diffractometer (XRD), scanning probe microscope, UV–vis spectrophotometer, respectively. The XRD result shows that the pure ZnO has a wurtzite hexagonal structure, no phase segregation is observed. The surface morphology of pure ZnO thin film shows that the grains are growing preferentially along the c-axis orientation perpendicular to the substrates. The transmittance spectra reveal that all samples have high transmittance above 90% in visible region. With Ag doping content increase, a red shift is observed. The performance of Ag-doped ZnO films using in thin film solar cells are simulated. The results show that 4% Ag-doped ZnO thin film can greatly improve the absorption of the cells. Compare to pure ZnO, solar cell's energy conversion efficiency improvement of 2.47% is obtained with 4% Ag doped ZnO thin film.     

籽晶层对喷雾热分解法生长ZnO薄膜结晶质量和光电性能的影响

通过脉冲激光沉积(PLD)方法在Si(100)衬底上沉积一层高质量的ZnO籽晶层,在籽晶层上进一步采用超声喷雾热分解(USP)法生长ZnO薄膜,研究了籽晶层对ZnO薄膜结晶质量和ZnO/Si异质结光电特性的影响。研究结果表明,在籽晶层的诱导作用下,USP法生长ZnO薄膜由多取向结构变为(002)单一取向,结晶性能得到了显著改善;籽晶层上生长的薄膜呈现出垂直于衬底生长的柱状晶结构,微观结构更加致密。通过研究紫外光照前后ZnO/Si异质结的整流特性,发现引入籽晶层后,反向偏压下异质结的光电响应显著增加,并且在开路状态下出现明显的光伏效应。     

Photovoltaic performance of Gallium-doped ZnO thin film/Si nanowires heterojunction diodes

In this work, photovoltaic performance of Ga-doped ZnO thin film/Si NWs heterojunction diodes was investigated. Highly dense and vertically well-aligned Si NW arrays were successfully synthesised on a p-type (1?0?0)-oriented Si wafer through cost-effective metal-assisted chemical etching technique. Ga-doped ZnO thin films were deposited onto Si NWs via radio frequency magnetron sputtering to construct three-dimensional heterostructures. Photovoltaic characteristics of the fabricated diodes were determined with current density (J)–voltage (V) measurements under simulated solar irradiation of AM 1.5 G. The optimal open-circuit voltage, short-circuit current density, fill factor and power conversion efficiency were found to be 0.37 V, 3.30 mA cm^?2, 39.00 and 0.62%, respectively. Moreover, photovoltaic diodes exhibited relatively high external quantum efficiency over the broadband wavelengths between 350 and 1100 nm interval of the spectrum. The observed photovoltaic performance in this study clearly indicates that the investigated device structure composed of Ga-doped ZnO thin film/Si NWs heterojunctions could facilitate an alternative pathway for optoelectronic applications in future, and be a promising alternative candidate for high-performance low-cost new-generation photovoltaic diodes.     

Structural and optical properties of the S-doped ZnO particles synthesized by hydrothermal method

Sulfur-doped ZnO particles have been synthesized by hydrothermal method. The structural and optical properties were studied systematically by XRD, scanning electron microscopy (SEM), and photoluminescence. SEM results show that the particle is hexagonal and the average size decreases with increasing sulfur doping, which means a retardant effect of sulfur on the growth of S-doped ZnO. XRD results show that the lattice parameters increase with more sulfur, which means an effective sulfur doping and increasing strain. Optical characterization also shows that the effective sulfur doping will enhance the green emission and suppress the near bandgap emissions.