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《自然科学进展(英文版)》2020,30(4):477-484
The heating process for CuAlNi nanoclusters with cuboctahedral structure was studied by molecular dynamics simulation with the embedded atom method. A diffusionless martensitic transformation from the cuboctahedral (CO) to the icosahedral (ICO) structure before the melting point was found in some CuAlNi nanoclusters. The effects of element composition and cluster size on the thermodynamic stability and structural transformation of trimetallic nanoclusters were investigated. The results show that the CO–ICO transformation temperature was size-dependent and occurred only for small clusters. It was also observed that the CO–ICO transformation temperature firstly dropped and then raised as Al concentration increased, which may be strongly related to the release of excess energy. Furthermore, the surface segregation phenomenon was also observed that the lower surface energy components, such as Al and Cu atoms, segregated to the surface of CuAlNi nanoclusters. The changes in the melting points of CuAlNi nanoclusters with different alloy compositions and cluster sizes were also studied. And furthermore, the physical basis of structural transition of CuAlNi nanoclusters was discussed. 相似文献
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利用表面调制“幻数团簇”的方法制备出Al、Ga和In的纳米团簇人造晶体。这种方法是用Si(111) 7× 7表面作为“模板”生长尺寸相同和分布有序的纳米团簇。通过扫描隧道显微镜 (STM )原位分析结合第一性原理计算确定了金属纳米团簇的原子结构以及这些结构的形成机理。我们的研究表明对生长动力学的精确控制是制备团簇晶体的关键所在。此外 ,这种方法并不局限于制备某一种金属团簇。人造纳米团簇具有高的热稳定性和独特的结构使它们有希望在实际中得到广泛的应用。 相似文献
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采用惰性气体凝聚法获得非金属团簇淀积体。透射电子显微分析及动力学模拟结果表明:纳米团簇淀积体的生长、聚集过程对构成团簇的原子的热力学性质、团簇制备中的蒸发率和惰性气体气压及淀积温度等参数极为敏感。在团簇的淀积体中,随生长条件不同,将会出现不同的聚集结构。因此可在一定程度上定量控制团簇淀积体的聚集状态,获得特定的纳米结构图案。 相似文献
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A novel method for preparing platinized counter electrode of nanocrystalline dye-sensitized solar cells 总被引:1,自引:0,他引:1
CHENJinmao MAYutao WANGGuiqiang WANGZhengping ZHOUXiaowen LINYuan LIXueping XIAOXurui 《科学通报(英文版)》2005,50(1):11-14
The platinized FTO glass counter electrode was prepared by employing techniques of colloid preparation, Langmuir-Blodgett film and serf-assembly. The present electrode had very low platinum loading, high catalytic activity for iodine/triiodide reduction reaction. Compared with the conventional counter electrodes used in nanocrystalline dye-sensitized solar cells, the present electrode had provided a much higher catalytic performance which was attributed to the structure of platinum nanoclusters distributed homogeneously on the electrode. 相似文献