火焰法制备非晶态“实心”炭纳米纤维的结构模型及其电输运行为  

Structure and electrical conductivity of amorphous solid-core carbon nanofibers produced in flames

作　　者：祁祥[1,2] 孟兆楷 潘春旭[1,3] 

机构地区：[1]武汉大学物理科学与技术学院,湖北武汉430072 [2]湘潭大学材料与光电物理学院,湖南湘潭411105 [3]武汉大学教育部人工微纳结构重点实验室,湖北武汉430072

出　　处：《新型炭材料》2014年第6期473-480,共8页New Carbon Materials

基　　金：高等学校博士学科点专项科研基金资助课题(20070486016);国家自然科学基金青年项目(51002129);中国博士后科学基金资助项目(20100480068);湖南省教育厅科学研究项目(10C1270)~~

摘　　要：火焰法制备的非晶态"实心"炭纳米纤维内部原子排列无序紊乱,依靠常规的表征手段,难以得到其三维原子构型分布。根据非晶态"实心"炭纳米纤维的XRD图谱提供的衍射强度数据,采用逆向蒙特卡罗法,重构了非晶态"实心"炭纳米纤维的微观原子构型,并对获得的模型进行充分的误差分析。计算得到了非晶态炭纳米纤维的费米能级及其导电机制,认为其具有半导体特征;实验测量单根非晶态"实心"炭纳米纤维的电输运行为发现,其I-V曲线呈现对称和非线性特征,且电阻随着温度的升高而下降,进一步证明非晶态"实心"炭纳米纤维的原子构型具有一定的真实性。The microstructures of amorphous solid-core carbon nanofibers （CNFs） synthesized in flames show long-range disor- der, which makes it difficult to reconstruct their three-dimensional atom configurations by popular characterization methods. Using a reverse Monte Carlo method, the atom configurations of CNFs were derived from X-ray diffraction data, and these were used to cal- culate the Fermi levels, density of electronic states and electrical conductivity of the CNFs. The calculated electronic structures of CNFs indicate that the amorphous CNFs are semiconducting. Experimentally, the I-V curve of the CNFs was investigated and shown to be symmetrical and nonlinear, indicating the semiconductivity of the CNFs, which is good agreement with calculated results.

关 键 词：炭纳米纤维 非晶态 逆向蒙特卡罗法 电输运行为 

分 类 号：TQ342.742[化学工程—化纤工业] TB383.1[一般工业技术—材料科学与工程]