氧化锌晶体生长基元模拟

本文利用Hyperchem分子模拟软件对氧化锌晶体生长基元Zn(OH)42-进行了系统的模拟.通过模拟分析生长基元的结合方式,提出了生长基元的结合规律.结果表明:Zn原子数(生长基元)与共用O原子数(O桥)的比例越大所形成的络合物越稳定;当分子中Zn原子和共用O原子比例一定时,羟基数目越少则越稳定.并且通过计算机模拟生长基元直线状结合情况解释了单晶ZnO纳米线状或纳米棒状的结构很难在实验中获得的原因.     

建筑环境下基于ZnO纳米线甲醛气体检测传感器的研究

为了检测建筑物室内甲醛,用ZnO纳米线作为监测甲醛的目标物.以氯化锌(ZnCl2)和柠檬酸钠(C6 H5 Na3 O7)为原料,使用水热法合成ZnO纳米线,利用X射线衍射仪(XRD)、扫描电镜(SEM)和X射线能谱仪(EDS)对制备出的ZnO纳米线的晶体结构和微观形貌进行表征.结构表征结果表明,所制备出的ZnO纳米线结晶良好、纯度较高,平均直径为(39±10)nm,其长度约为400 nm,且分散良好.将所制备的ZnO纳米线涂覆在陶瓷管上,组装成气敏元件并对其进行系统的气敏特性研究.气敏检测结果表明,基于ZnO纳米线的气体传感器对HCHO气体具有优异的气敏性能.该传感器在125℃时对50×10-6的HCHO气体获得最大灵敏度15.2,同时展现出了优良的稳定性、重现性以及选择性.     

基于直流磁控溅射晶种层的ZnO纳米阵列的制备及性能研究

采用直流反应磁控溅射法制备品种层薄膜,研究O2/Ar气体分压比和退火温度对品种层结构和微观形貌的影响.通过化学水浴沉积,在预制有晶种层的薄膜上制备ZnO纳米阵列结构,研究不同前驱体浓度和预制晶种层对纳米阵列生长的影响.结果表明,当O2/Ar中O2分压减少,薄膜均匀性较差,当Ar分压增加薄膜由于扩散而趋于平整.退火温度增加,晶粒尺寸增大,内应力降低.磁控溅射法预制的晶种层上生长的纳米棒垂直于衬底生长,(002)晶面的衍射峰强最高,说明纳米棒沿c轴择优取向.生长液的浓度对纳米棒的形貌影响显著,随着生长液浓度的升高,ZnO纳米阵列直径增大,顶端趋于平整的六棱柱结构.     

电场辅助电化学法沉积ZnO纳米线

采用电场辅助电化学沉积的方法成功的在阳极氧化铝模板中沉积出ZnO纳米线阵列.透射电子显微镜(TEM)、X射线衍射(XRD)测试结果表明,制备的纳米线是单晶ZnO纳米线,形貌均匀,直径大约为60nm,并且择优于(101)晶面.我们对生长过程中所加辅助电场的作用给出了初步的解释.     

In2O3(ZnO)m超晶格纳米线的制备和性质

通过热蒸发ZnO和In粉末用化学气相沉积的方法合成了一维In2O3( ZnO)m超晶格纳米线,利用场发射扫描电子显微镜、透射电子显微镜对它们的结构和成分进行了表征.结果表明,In2O3 (ZnO)m超晶格纳米线是In-O层和In/Zn-O层沿着([1010])方向交替堆叠而成的.讨论了In2O3( ZnO)m超晶格纳米线形成的机制和光致发光特性.     

在蓝宝石衬底上外延生长ZnGa2O4纳米线及其表征

使用一种简单的化学气相沉积法成功地在c面蓝宝石衬底上外延生长了整齐排列的ZnGa2O4单晶纳米线.研究了在不同生长温度和生长压力下外延生长ZnGa2O4纳米线,并使用XRD,SEM和TEM对产物进行了表征.结果 表明,在生长条件为980℃和100 Torr时,可以外延生长出整齐排列的ZnGa2O4纳米线.所制备的ZnGa2O4纳米线直径为60 ～ 150 nm,并遵循Au催化的VLS生长机制沿其四个结晶学方向在蓝宝石上外延生长.分析了纳米线沿四个方向生长的原因,并对纳米线的光致发光性能进行了探讨.     

Cu3V2O7(OH)2·2H2O纳米线的制备及光吸收性能

以CuSO4·5H2O和 NH4VO3为原料,采用水热法制备了Cu3V2O7(OH)2·2H2O纳米线.采用X射线衍射(XRD)和场发射扫描电子显微镜(FE-SEM)对样品的组成和表面形貌进行了表征,结果显示:Cu3V2O7(OH)2·2H2O纳米线直径约80 nm,长度达到几个微米.对纳米线形成机理研究表明:该纳米线的形成主要取决于反应温度和反应体系pH值等因素.紫外-可见光吸收测试显示Cu3V2O7(OH)2·2H2O纳米线具有较宽的紫外-可见光吸收范围,计算其带隙宽度为1.94 eV.     

化学气相输运法制备ZnO晶体

采用化学气相输运法在常压开放系统中,以ZnO粉体为原料,HCl和NH3为输运气体,O2和H2O为反应气体,适度过量的HCl作为刻蚀性气体,在(0001)方向的蓝宝石籽晶片上制备了(0002)方向定向生长的ZnO晶体,且a、b轴生长速度明显高于c轴方向.以(0002)方向的ZnO籽晶片作基片,制备了ZnO单晶厚膜,晶体呈螺旋状外延生长,正极面的单晶摇摆曲线半高宽为543.6弧秒.     

CVD法制备高质量ZnO纳米线及生长机理

以金做催化剂,采用化学气相沉积(CVD)方法在Si(100)衬底上生长了整齐紧密排列的ZnO纳米线.XRD图谱上只有ZnO的(002)衍射峰,说明ZnO纳米线沿[001]择优生长;扫描电子显微镜分析表明:ZnO纳米线整齐排列在Si(100)衬底上,直径在100nm左右,平均长度为4μm.研究发现ZnO纳米线的生长机理与传统的V-L-S机理有所不同:生长过程中,在Si(100)衬底上先生长了大约500nm厚的ZnO薄膜,而ZnO纳米线生长在薄膜之上.     

Cu薄膜生长过程的Monte Carlo模拟

用动力学晶格蒙特卡洛模型(Kinetic Lattice Monte Carlo,KLMC)模拟Cu薄膜的生长过程,讨论了基底温度、沉积原子数、单原子最大迁移步数和原子相互作用范围等参数对薄膜表面形貌的影响,并与实验结果进行了比较.结果表明:基底温度升高或沉积原子数增加时,沉积在基底上的原子逐步由众多各自独立的离散型分布向聚集状态过渡形成团簇,并且温度越低,团簇越趋于分散生长.当最大迁移步数减小或相互作用范围增大时,团簇亦趋于分散生长.     

Effect of oxygen partial pressure on the growth of zinc micro and nanostructures

Zinc micro and nanostructures were synthesized in vacuum by condensing evaporated zinc on Si substrate at different gas pressures. The morphology of the grown Zn structures was found to be dependent on the oxygen partial pressure. Depending on oxygen partial pressure it varied from two-dimensional microdisks to one-dimensional nanowire. The morphology and structural properties of the grown micro and nanostructures were studied by scanning electron microscopy (SEM) and X-ray diffraction (XRD). Transmission electron microscopy (TEM) studies on the grown Zn nanowires have shown that they exhibit core/shell-like structures, where a thin ZnO layer forms the shell. A possible growth mechanism behind the formation of different micro and nanostructures has been proposed. In addition, we have synthesized ZnO nanocanal-like structures by annealing Zn nanowires in vacuum at 350 °C for 30 min.     

Synthesis of ZnO nanorods by the thermal reduction process of a mixture of ZnO and Al powder

Single‐crystalline Zinc oxide (ZnO) nanorods were firstly synthesized on gold‐coated Si substrate via a simple thermal reduction method from the mixture of ZnO and Al powder. The growth process was carried out in a quartz tube at different temperature (550‐700 °C) and at different oxygen partial pressure. Their structure properties were investigated by X‐ray diffraction (XRD), scanning electron microscope (SEM), X‐ray photoelectron spectroscopy (XPS) and transmission electron microscopy (TEM). The length of the as‐prepared ZnO nanorods was up to several micrometers and their diameters were about 130 nm. The X‐ray diffraction patterns, transmission electron microscopic images, and selective area electron diffraction patterns indicate that the one‐dimensional ZnO nanorods are a pure Single‐crystal and preferentially oriented in the [0001] direction. The reaction mechanism of ZnO nanorods was proposed on the basis of experimental data. (© 2011 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)     

Role of annealing environment and partial pressure on structure and optical performance of TiO2 thin films fabricated by rf sputter method

Influences of the different annealing ambient (in air, 1 bar, 2 bar, 3 bar and 4 bar oxygen partial pressure) on the titanium dioxide (TiO₂) thin films deposited on soda lime glass by standard radio frequency (rf) magnetron reactive sputtering method at 100 watt were investigated by means of X–ray diffractometer (XRD), ultra violet spectrometer (UV–vis), and Scanning Electron Microscopy (SEM). It was found that either optical properties or energy band gaps of the films enhanced with increase in the oxygen partial pressure up to 3 bar. The energy band gaps of the films (except for the film annealed in 4 bar oxygen partial pressure) became larger than the film annealed in atmospheric pressure. The best transmission was observed for the thin film annealed in 3 bar oxygen partial pressure. Moreover, not only was grain–like structure found to be more dominant than dot–like structure but also growth of anatase phase was observed instead of that of the rutile phase with increasing oxygen partial pressure up to 3 bar. (© 2010 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)     

反应磁控溅射制备AZO薄膜相结构的演化及机理研究

在室温下,利用直流反应磁控溅射技术在不同的氧气流量下沉积ZnO∶ Al (AZO)薄膜.采用XRD、SEM和TEM技术分析薄膜相成分、表面截面形貌及微观结构.结果表明:氧气流量为2.5 sccm时,沉积形成的薄膜为不透明具有金属导电性能的AZO/Zn( AZO)双层复合膜结构;氧气流量为3.5 sccm时,沉积形成了透明导电的AZO薄膜;氧气流量为5.0 sccm时,形成了透明不导电且含有纳米Al2O3颗粒的AZO薄膜;此外,AZO薄膜在400℃退火后,薄膜晶粒长大和(002)晶面方向择优生长更加明显以及高氧气流量沉积的AZO薄膜中的纳米Al2O3颗粒消失.     

氧分压对ZnO纳米结构的形貌及光学性能的影响

利用未采用催化剂的真空热蒸发法合成了不同形貌的硅基ZnO纳米结构,研究了氧分压对纳米ZnO结构及光学性能的影响.研究结果表明氧分压对ZnO纳米结构的形貌及光学性能具有明显的影响,在氧分压为25;、10;和5;时制得的纳米ZnO结构分别为纳米线、纳米带和纳米梳.X射线衍射测试表明制得的不同ZnO纳米材料均为六方纤锌矿结构,并具有明显的c轴择优取向性.采用PL谱对制备纳米结构的光学性能进行了测试.     

氧分压对HfOxNy薄膜结构和力学性能的影响

采用射频磁控反应溅射法在不同氧分压条件下制备了氮氧化铪薄膜,薄膜沉积过程在氧气、氮气和氩气的混合气氛中进行,所用衬底为多光谱硫化锌材料.用X射线衍射、扫描电子显微镜、纳米硬度计等分别研究了不同氧分压条件下HfOxNy薄膜的晶体结构、显微结构、力学性能等.结果表明:在氧分压为0.05～0.30范围内,HfOxNy薄膜都为多晶结构,但随着氧分压的降低,HfOxNy薄膜的沉积速率逐渐增大,薄膜的晶体结构由单斜氧化铪转变为氮氧化铪相;不同氧分压下沉积的HfOxNy薄膜都符合薄膜区域结构模型中典型的柱状结构且氧分压较低时薄膜表面粗糙度较大;不同氧分压条件下沉积的HfOxNy薄膜硬度和弹性模量都远大于衬底硫化锌的硬度和弹性模量,氧分压为0.15时最大硬度和弹性模量值分别为11.6 GPa和160 GPa.     

Optical properties of ZnO nanotubes

Tubular ZnO nanostructures have been obtained via a hydrothermal method at low temperature (90 °C) without any catalysts or templates. The XRD measurement reveals that the tubes are single crystals with hexagonal wurtzite structure. SEM shows that the diameters of ZnO nanotubes ranged from 400 to 550 nm. The Raman and PL spectra indicate that oxygen vacancies or Zn interstitials are responsible for the green emission in the ZnO nanotubes. A possible growth mechanism on the formation of crystalline ZnO nanotubes has been presented. (© 2010 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)     

微管ZnO可控生长的研究

本文采用水热法在玻璃基片上生长出了微米级六棱管状ZnO.采用X射线衍射(XRD)、扫描电子显微镜(SEM)对所制备的样品进行物相结构及表面形貌的分析.结果显示所制备的样品为六角晶系纤锌矿结构的ZnO.通过在基片上预先生长不同尺度中空ZnO球的方法能够成功的生长出不同尺寸微米管状ZnO,初步实现了水热合成微米管状ZnO的可控生长.     

Structural,optical and electrical properties of Ga-doped and (Ga,Co)-codoped ZnO films

The Ga-doped and (Ga, Co)-codoped ZnO films were grown on quartz glass substrate by inductively coupled plasma enhanced physical vapor deposition. The effect of Co doping and oxygen pressure on the structural, optical, electrical and magnetic properties of the as-grown films was investigated. The structural characterization revealed that high-quality films were grown with wurtzite structure and c-axis preferred crystalline orientation. The surface morphology was affected by Co doping and oxygen pressure. Room-temperature ferromagnetism was observed in (Ga, Co)-codoped ZnO films. We found that the optical and electrical properties were degraded with Co doping. The Ga-doped ZnO films had an average transmittance of above 88% in the visible wavelength, while (Ga, Co)-codoped ZnO showed a lower average transmittance (∼65%) due to the d-d transitions of Co²⁺. The resistivity and Hall mobility of (Ga, Co)-doped ZnO samples were lower than those of Ga-doped ZnO films when grown at the same oxygen pressure.     

Solvothermal growth of highly oriented wurtzite‐structured ZnO nanotube arrays on zinc foil

ZnO nanotube arrays were synthesized on zinc foil by a simple solvothermal approach. In this approach, zinc foil was used not only as a substrate but also as a zinc‐ion source for the direct growth of ZnO nanotube arrays. X‐ray diffraction (XRD) analysis and Scanning electron microscope (SEM) images, indicated that the structure of the ZnO nanotube arrays on the zinc foil substrate was single‐crystalline with a wurtzite structure. The optical properties of the ZnO nanorod arrays were characterized by photoluminescence spectroscopies and Raman. Photoluminescence exhibited strong UV emission and a broad deep‐level (visible) emission emission at with 325 nm excitation. A possible mechanism is also proposed to account for the growth of the ZnO nanotube arrays. (© 2009 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)