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利用分子动力学方法模拟了碳原子与碳氢薄膜的作用过程。探讨了不同入射能量对碳原子与碳氢薄膜相互作用的影响。模拟结果表明碳原子与碳氢薄膜作用会在表面形成碳薄膜。随着入射能量的增加,碳薄膜厚度变薄。在碳薄膜中碳原子的成键形式主要为Csp2-Csp2和Csp2-Csp3,随入射能量的增加,碳原子键价结合形式从Csp2-Csp2向Csp2-Csp3转化。     

Growth and Characterization of CIS Thin Films Prepared by Ion Beam Sputtering Deposition

Copper indium diselenide （CuInSe2） thin films were prepared by ion beam sputtering Cu, In and Se targets continuously on BK7 glass substrates and the three-layer film was then annealed in the same vacuum chamber. X-ray diffraction shows that the CuInSe2 thin films have a single chalcopyrite structure with preferential （112） orientation. Scanning electron microscopy reveals that the CIS thin films consist of uniform and densely packed grain clusters. Energy dispersive x-ray spectroscopy demonstrates that the elemental composition of CIS films approaches the stochiometric composition ratios of 1：1：2. Raman measurement shows that the main peak is at about 174cm^-1 and this peak is identified as the A1 vibrational mode from chaicopyrite ordered CulnSe2. Optical transmission and absorption spectroscopy measurement reveal an energy band gap of about 1.05 eV and an absorption coefficient of 10^5 cm^-1. The film resistivity is about 0.01 Ωcm.     

Effect of Zn Interstitials on Enhancing Ultraviolet Emission of ZnO Films Deposited by MOCVD

ZnO films are grown on Si （111） substrates by a metal organic chemical vapor deposition method. Samples with different stoichiometric composition of Zn and 0 are obtained by varying Ⅱ/Ⅵ molar ratio between 3 and 1/3 in precursors. The x-ray photoelectron spectroscopy and photoluminescenee results show that the ultraviolet emission enhances with the increasing Zn/O composition ratio of the samples. It is suggested that the supertfluous Zn atoms pile up at interstitial positions to form Zn interstitial defects. The radiated recombination of the coupling of free exeitons with donor Zn interstitial enhances the ultraviolet emission of the samples.     

Composition-Dependent Characterization of Sb2Te3 Thin Films Prepared by Ion Beam Sputtering Deposition

The optimization of ion beam sputtering deposition process for Sb2 Te3 thin films deposited on BK7 glass substrates is reported. The influence of composition ratio on the thermoelectric properties is investigated. X-ray diffraction shows that the major diffraction peaks of the films match with those of Sb2 Te3. Hall effect and Seebeck coefficient measurement reveal that all the samples are of p-type. The Sb2 Te3 thin films exhibit the Seebeck coefficient of 190μVk^-1 and the electrical conductivity of 1.1 × 10^3 Scm^-1 when the atomic ratio of Sb to Te is 0.65. Carrier concentration and motility of the films increase with the increasing atomic ratio of Sb to Te. The Sb2 Tea film with a maximum power factor of 2.26×10^-3 Win^-1K^-2 is achieved when annealed at 400℃. Raman measurement shows that the main peaks are at about 120 cm^-1, 252 cm^-1 and 450 cm^-1, in agreement with those of V-VI compound semiconductors.     

Influence of O2 Flux on Compositions and Properties of ITO Films Deposited at Room Temperature by Direct-Current Pulse Magnetron Sputtering

Indium tin oxide （ITO） films were deposited on glass substrates at room temperature by dc pulse magnetron sputtering. Varying 02 flux, ITO films with different properties are obtained. Both x-ray diffractometer and x-ray photoelectron spectrometer are used to study the change of crystalline structures and bonding structures of ITO films, respectively. Electrical properties are measured by four-point probe measurements. The results indicate that the chemical structures and compositions of ITO films strongly depend on the O2 flux. With increasing O2 flux, ITO films display better crystallization, which could decrease the resistivity of films. On the contrary, ITO films contain less O vacancies with increasing O2 flux, which could worsen the conductive properties of films. Without any heat treatment onto the samples, the resistivity of the ITO film could reach 6.0 × 10^-4 Ω·cm, with the optimal deposition parameter of 0.2 scem O2 flux.     

Effect of Different Substrate Temperature on Sb-Doped ZnO Thin Films Prepared by Pulsed Laser Deposition on Sapphire Substrates

Sb-doped ZnO thin films are deposited on c-plane sapphire substrates by pulsed laser deposition. Hall results indicate that the conductivity of the Sb-doped ZnO thin films is strongly dependent on the substrate temperature. The sample deposited at the temperature of 550°C exhibits p-type conductivity. It gives a resistivity of 15.25Ω＆#12539;cm, with a Hall mobility of 1.79cm2V-1s-1 and a carrier concentration of 2.290×1017cm-3 at room temperature. The x-ray diffraction indicates that the Sb-doped ZnO thin films deposited in the range of 450-650°C are high c-axis oriented. Low-temperature photoluminescence spectra indicate that the sample deposited at 550°C shows the strong acceptor-bound exciton （A0X） emission.     

Electrical Response of Flexible Vanadyl-Phthalocyanine Thin-Film Transistors under Bending Conditions

Flexible vanadyl-phthalocyanine （VOPc） thin-film transistors are fabricated by the weak epitaxy growth （WEG） method. The devices show a mobility of 0.5 cm2/Vs, an on/off ratio of 105 and a low leakage current of 10-9 A. The performances exhibit strong dependence on bending conditions and reversible change can be found when the bending strain is less than 1.5%. This results from the change of the trap density calculated by subthreshold slopes. The results indicate that VOPc films fabricated by the WEG method have good durability to flexing and possess great potential in flexible electronics.     

Effects of Rapid Thermal Processing on Microstructure and Optical Properties of As-Deposited Ag2O Films by Direct-Current Reactive Magnetron Sputtering

（111） preferentially oriented Ag2O film deposited by direct current reactive magnetron sputtering is annealed by rapid thermal processing at different annealing temperatures for 5 min. The film microstructure and optical properties are then characterized by x-ray diffractometry, scanning electron microscopy, and spectrophotometry, respectively. The results indicate that no clear Ag diffraction peak is discernable in the Ag2O film annealed below 200°C. In comparison, the Ag2O film annealed at 200°C begins to exhibit characteristic Ag diffraction peaks, and in particular the Ag2O film annealed at 250°C can demonstrate enhanced Ag diffraction peaks. This implies that the threshold of the thermal decomposition reaction to produce Ag particles is approximately 200°C for the Ag2O film. In addition, an evolution of the film surface morphology from compact and pyramid-like to a rough and porous structure clearly occurred with increasing annealing temperature. The porous structure might be attributable to the escape of the oxygen produced during annealing, while the rough surface might originate from the reconstruction of the surface. The dispersion of interference peak intensity in the reflectance and transmission spectra could be attributed to the Ag particles produced. The lowered crystallinity and Ag particles produced induce a lattice defect, which results in an enhanced transmissivity in the violet region and a weakened transmissivity in the infrared region.     

联苯二胺分子器件电输运特性的取代效应

在第一性原理基础上,理论研究了苯环上含有不同取代物的四个联苯分子的电输运特性.计算结果表明,当苯环上的氢被取代时,联苯分子的两个苯环之间的扭转角增大.分子结的电导随苯环间扭转角的增加而减少,且电导值与扭转角余弦平方成线性关系.在低偏压下,分子结的电输运机制是电子通过π轨道的隧穿过程.计算结果与实验结果符合的较好.