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本研究小组利用硼和氮共掺杂碳纳米管构筑了大量的场效应晶体管,并对其电学性质进行了统计分析研究。结果表明,通过对单壁碳纳米管进行硼和氮共掺杂,样品中半导体性纳米管的比例由67%提升到高于97%。为了深入理解这一重要实验发现,我们利用第一性原理,计算了掺杂对单壁碳纳米管能带结构的调制作用。结果证明,硼和氮共掺杂可使金属性单壁碳纳米管的能隙被打开,转变为半导体性纳米管,但并不改变半导体性碳纳米管的导电属性,从而在理论上解释了硼和氮共掺杂调节碳纳米管能带结构的物理机制。这项工作为纳米管电子和光电子器件走向实际应用提供了一条新途径。
The research team used boron and nitrogen co-doped carbon nanotubes to build a large number of field-effect transistors, and its electrical properties were statistically analyzed. The results show that the proportion of semiconducting nanotubes in the sample increased from 67% to over 97% by boron and nitrogen co-doping of single-walled carbon nanotubes. In order to understand this important experiment, we calculated the doping effect on the band structure of single-walled carbon nanotubes using the first-principles principle. The results show that boron and nitrogen co-doping can open the metal single-walled carbon nanotubes energy gap is transformed into semiconducting nanotubes, but does not change the conductive properties of semiconducting carbon nanotubes, which in theory explained Bismuth and nitrogen co-doped physical mechanism to adjust the energy band structure of carbon nanotubes. This work provides a new way for practical applications of nanotube electronic and optoelectronic devices.