碳纳米管表面金纳米颗粒的形成与结构转变  

Formation and structure transition of gold nanoparticles on surface of carbon nanotube

作　　者：李俊[1] 张凯旺[1] 孟利军[1] 刘文亮[1] 钟建新[1] 

机构地区：[1]湘潭大学材料与光电物理学院,湘潭411105

出　　处：《物理学报》2008年第1期382-386,共5页Acta Physica Sinica

基　　金：湖南省教育厅重点项目(批准号:05A005);长江学者奖励计划资助的课题~~

摘　　要：利用分子动力学模拟研究了室温下金纳米颗粒在碳纳米管表面的结构和作用能.研究结果表明,金纳米颗粒随着尺寸的增大会发生不同于孤立状态下的结构转变.当原子数小于130时,颗粒属于无序结构;当原子数大于140时,呈现面心立方晶体结构.小金纳米颗粒和碳纳米管结合紧密,相互作用能正比于面对碳纳米管的颗粒表面面积.Formation and structure of gold nanoparticles at room temperature on the surface of carbon nanotube have been studied by molecular dynamics simulation. It was shown that, different from isolated gold nanoparticles, a gold nanoparticle AuN sitting on the surface of carbon nanotube undergoes a structural transition. Small gold nanoparticles with N≤130 have disordered structures while larger particles with N≥140 have the face centered cubic structure of bulk crystalline gold. The binding energy per atom of AuN decreases as its size decreases. It was also shown that the strength of the interaction between a small gold nanoparticle and the carbon nanotube is proportional to their contact surface area, indicating a close contact between the two structures.

关 键 词：金纳米颗粒 碳纳米管 分子动力学模拟 形成 结构 

分 类 号：TB383.1[一般工业技术—材料科学与工程]