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1.
Theoretical study of ZnO adsorption and bonding on Al_2O_3(0001) surface   总被引:1,自引:0,他引:1  
Sapphire (α-Al2O3) and silicon (Si) are widely applied as the substrates of the highquality ZnO thin films prepared by pulse laser deposition (PLD) and molecule beamepitaxy (MBE) technology. The adhesion, diffusivity, and bonding of the particles on thesubstrates play a significant role in the forming and initial growing of nucleation for filmgrowth, and directly influence the quality of the entire thin films[1]. No sufficient studiesand experiments are available on the surface atomic str…  相似文献
2.
The novel nano-scale iron phthalocyanine oligomer/Fe3O4 (FePc/Fe3O4) hybrid microspheres were synthesized from iron phthalocyanine oligomer and FeCl3·6H2O via a solvent-thermal crystallization route. The morphology and structure of the hybrid microspheres were characterized by Fourier transform infrared spectrophotometer, X-ray diffraction, scanning electron microscopy and transmission electron microscopy. These results showed that the hybrids were monodisperse microspheres and the morphology can be adjusted by controlling pre-polymerization time. The saturation magnetization increased with increase in the pre-polymerization time, while the coercivities decreased. The FePc/Fe3O4 hybrid microspheres exhibited novel microwave electromagnetic properties: the dielectric loss was enhanced when the pre-polymerization time increased and a new microwave loss peak appeared at high frequency. The microwave absorbing properties enhanced with increase in the pre-polymerization time and a maximum reflection loss of −29.7 dB was obtained at 11.7 GHz with 6 h of pre-polymerization time when the matching thickness was 3.0 mm. The novel hybrid materials are believed to have potential applications as microwave absorbing materials.  相似文献
3.
Magnetite particles with nanoscale sizes were self-assembled along multiwalled carbon nanotubes through a simple, effective and reproducible solvothermal method. The morphology, composition and phase structure of as-prepared hybrid materials were characterized by scanning electron microscopy, X-ray diffraction and transmission electron microscopy. The results showed that denseness, size and crystallinity of magnetite can be altered by controlling the reaction parameters. Magnetization measurement indicated that both coercivity and saturation magnetization increased linearly with increasing magnetite concentration in the hybrid materials. Electromagnetic properties of the carbon nanotubes/magnetite inorganic hybrid materials were measured at 1∼18 GHz. The magnetic loss was caused mainly by ferromagnetic natural resonance, which is in agreement with the Kittel equation. The as-prepared inorganic hybrid materials are believed to have potential applications in the microwave absorbing area.  相似文献
4.
Existing theories for electron-field emission of carbon nanotubes (CNTs) cannot interpret why there appears in certain cases a knee on some Fowler-Nordheim (F-N) plots while not on others. We consider the interaction between substrate and CNTs and introduce a double-barrier model to explain the knee on the F-N plot. The knee on the F-N plot is a consequence of the transition from direct tunneling to F-N tunneling. The absence of the knee for the CNT films on titanium is attributed to the removal of the interface barrier by the formation of a conductive titanium carbide interlayer. The double-barrier model is helpful in understanding the field emission mechanism of CNTs and can explain the experimental results regardless whether or not there is a knee on F-N plot.  相似文献
5.
ZnO adsorption on sapphire (0001) surface is theoretically calculated by using a plane wave ultrasoft pseudo-potential method based onab initio molecular dynamics. The results reveal that the surface relaxation in the first layer Al-O is reduced, even eliminated after the surface adsorption of ZnO, and the chemical bonding energy is 434.3(±38.6) kJ · mol−1. The chemical bond of ZnO (0.185 ± 0.01 nm) has a 30° angle away from the adjacent, Al-O bond, and the stable chemical adsorption position of the Zn is deflected from the surface O-hexagonal symmetry with an angle of about 30°. The analysis of the atomic populations, density of state and bonding electronic density before and after the adsorption indicates that the chemical bond formed by the O2− of the ZnO and the surface Al3+ has a strong ionic bonding characteristic, while the chemical bond formed by the Zn2+ and the surface O2− has an obvious covalent characteristic, which comes mainly from the hybridization of the Zn 4s and the O 2p and partially from that of the Zn 3d and the O 2p.  相似文献
6.
The microstructure and electrical properties of Ba0.6Sr0.4TiO3 thin films have been investigated. Nanometer-sized domains, ranging from 8 to about 30 nm, were observed by piezoresponse force microscopy (PFM). The critical size, below which only single domains exist, is found to be about 31 nm. The film exhibits ferroelectric behavior characterized by polarization hysteresis loop and capacitance-voltage curve.  相似文献
7.
A superheating YBa2Cu3O7-δ (YBCO or Y123) thin film was applied as a seed layer to grow Pb[(Zn1/3Nb2/3)0.91Ti0.09]O3 (PZNT) films by a liquid phase epitaxy (LPE) process. In the present work, the YBCO thin film underwent a growth temperature of 1050 °C, which was about 40 °C higher than its peritectic temperature. It is very interesting that the superheated YBCO seed film could be used to grow not only Nd1+xBa2-xCu3O7-δ (NBCO) films with similar compositions but also PZNT films with completely different compositions. The XRD analysis confirmed that the PZNT film grown on the YBCO seeded MgO substrate had a good epitaxial relationship of [100](001)PZNT//[100](001)YBCO//[100] (001)MgO. Compared with the PZNT films directly grown on MgO substrates, the LPE PZNT film on YBCO/MgO presented a better surface morphology. It was found that the superheating YBCO seed film plays a crucial role for the LPE growth of PZNT in the process. Furthermore, the superheating mechanism was discussed in terms of thermodynamic theories as well. PACS 77.84.-s; 61.10.Nz; 68.37.Hk; 81.15.Lm; 82.45.Mp  相似文献
8.
杨 春  余 毅  李言荣  刘永华 《物理学报》2005,54(12):5907-5913
构建了一个ZnO沉积在α-Al2O3(0001)表面生长初期的模型,采用基于密度泛函理论的平面波超软赝势法进行了动力学模拟.发现在400,600和800℃的条件下界面原子有不同的扩散能力,因此温度对ZnO/α-Al2O3(0001)表面界面结构以及ZnO薄膜生长初期模式有决定性的影响.在整个ZnO吸附生长过程中,O原子的扩散系数大于Zn原子的扩散系数,O原子的层间扩散对薄膜的均匀生长起着重要作用.进一步从理论计算上证实了ZnO在蓝宝石(0001)上两种生长模式的存在,400℃左右生长模式主要是Zn螺旋扭曲生长,具有Zn六角平面对称特征,且有利于Zn原子位于最外表面.600℃左右呈现为比较规则的层状生长,且有利于O原子位于最外表面.模拟观察到在ZnO薄膜临近Al2O3基片表面处,Zn的空位缺陷明显多于O的空位缺陷.  相似文献
9.
 Incorporation of phosphorus into silicon from a spin-on dopant layer (SOD) at 400 °C is described. Annealing experiments were carried out with SOD films deposited on (100) silicon substrates by using the spin-on technique. Conventional heating on a hotplate in normal atmosphere and a temperature range up to 400 °C was used to study the dopant incorporation. After removing the SOD-films one part of the silicon substrates was annealed at higher temperatures. Investigations were carried out by SIMS, SAM, XPS, HTEM, stripping Hall and Van der Pauw measurements before and after the high temperature annealing. Chemical phosphorus concentration profiles obtained from low temperature annealed samples showed diffusion depths of 60–80 nm (extrapolated to a substrate doping level of 1016 cm-3) and surface concentrations of 1019–1020 cm-3. Electron concentration profiles exhibiting maximum values around 2⋅1019 cm-3 could be measured on high temperature annealed samples only. Received: 28 March 1996/Accepted: 19 August 1996  相似文献
10.
The carboxylic poly(arylene ether nitrile)/Fe3O4 hybrid microspheres were prepared via solvothermal method. The carboxylic poly(arylene ether nitrile) (PEN-COOH) was introduced into the Fe3O4 microspheres by chemisorption with mass content up to 15% as defined by infrared spectra and thermal gravimetric analysis. The hybrid sphere is of hierarchical polymer-inorganic microstructure as observed by transmission electron microscopy. The microwave-absorption of the sample owns a shifting peak and a special immobilized peak with the variation of absorber thickness from 3 to 5 mm. Maximum microwave-absorption of the product is capable of over −30 dB in the range of 10-12 GHz. By proposed equivalent filter circuit model, the immobilized peak was attributed to the ordered nanostructure where the Fe3O4 nanocrystals were isolated by PEN-COOH. The product has the potential to be applied as microwave absorber with high microwave-absorption, good dispersibility and robust polymer-inorganic interfacial adherence.  相似文献
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