激光限制结晶技术制备nc-Si/SiO2多层膜

在等离子体增强化学气相淀积系统中，采用aSi:H层淀积和原位等离子体氧化相结合的逐层生长技术制备了aSi:H/SiO_2多层膜.在激光诱导限制结晶原理基础上，使用KrF准分子脉冲激光为辐照源，对aSi:H/SiO_2多层膜进行辐照，使纳米级厚度的aSi:H子层晶化.Raman散射谱和电子衍射谱的结果表明，经过激光辐照后纳米Si颗粒在原始的aSi:H子层内形成，晶粒尺寸可以根据aSi:H层的厚度精确控制.还研究了样品的光致发光（PL）特性以及激光辐照能量密度对PL性质的影响. 关键词： 脉冲激光 多层膜 限制结晶     

Structural evolution of a-Si:H/SiO2 multilayers upon step by step thermal annealing

a-Si:H/SiO_2 multilayers were prepared by alternatively changing plasma enhanced chemical vapour deposition of a-Si:H layers and in situ plasma oxidation process. Subsequently, as-grown samples were annealed at temperatures from 350℃ to 1100℃ in N_2 ambient with an increment of 100℃. The evolution of bonding configurations and structures with annealing treatments was systematically investigated by Fourier-transform infrared spectroscopy. The peak position of Si－O stretching vibration of SiO_2 layers shift to 1087cm^{-1} after annealing at 1100℃, which demonstrates that the SiO_2 films fabricated by plasma oxidation after high temperature annealing can have similar properties to the thermal grown ones. A Si－O vibration from interfacial SiO_x was identified: the value x was found to increase as increasing the annealing temperature, which is ascribed to the cooperation of hydrogen effusion and reordering of the oxygen bond in SiO_x networks. The H-related bonds were observed in the form of H－Si－O_3 and H－Si－Si_{3-n}O_n (n=1－2) configurations, which are supposed to be present in SiO_2 and interfacial SiO_x layers, respectively. The H atoms bonded in different bonding configurations effuse at different temperatures due to their different desorption energies.     

原位等离子体逐层氧化a-Si:H/SiO2多层膜的光致发光研究

采用在等离子体增强化学汽相沉积系统中沉积a-Si:H和原位等离子体逐层氧化的方法制备a-Si:H/SiO2多层膜.改变a-Si:H层的厚度，首次在室温下观察到来自a-Si:H/SiO2多层膜较强的蓝色光致发光和从465到435nm的蓝移.x射线能谱证明，SiO2层是化学配比的SiO2；C-V特性表明，a-Si:H/SiO2界面得到了很好的钝化；透射电子显微镜表明，样品形成了界面陡峭的多层结构.结合光吸收谱和光致发光谱的研究，对其发光机理进行了讨论.用一维量子限制模型对光致发光峰随着a-Si:H层厚度的减小 关键词： a-Si:H/SiO2多层膜 光致发光     

3-乙酰基-8-叔丁基香豆素晶体结构及密度泛函理论研究

本文合成了3-乙酰基-8-叔丁基香豆素,并通过X-射线单晶衍射法测定分子结构,随后进行红外、核磁共振、紫外可见吸收光谱表征,并通过密度泛函理论(DFT)研究晶体中的分子间作用,模拟光谱并预测表面活性位点。结果表明,分子为大共轭平面结构,在晶体中主要以π-π堆积作用和氢键作用结合,结合能分别为17. 2和3. 9 kcal/mol。分子在近紫外可见光范围内的最大吸收波长在310nm,摩尔消光系数为16000L·mol-1·cm-1,主要对应苯环上π电子向内酯环以及羰基氧上的跃迁。该分子6号位碳最易发生芳环上亲电取代反应,内酯可发生水解、氨解等反应,苯环上氢、羰基氧均可形成氢键等弱相互作用。