研究目的
Investigating the construction and electronic transport properties of a nano-scale junction built on B/N doped single carbon nanotube.
研究成果
The study successfully constructs a nano-scale junction with rectifying characteristics on a B/N doped single carbon nanotube. The junction exhibits properties similar to an ideal diode with a p-n junction, demonstrating significant potential for applications in nanoelectronics.
研究不足
The randomness of dopant distribution in random doping causes uncertainty in the I-V curve of the junction, leading to random performance of devices and a high probability of failure for such tiny devices.
1：Experimental Design and Method Selection:
The study uses first-principles and nonequilibrium Green's function (NEGF) methods to investigate the electronic transport properties of B/N co-doping semiconducting SWCNTs.
2：Sample Selection and Data Sources:
(8,0) semiconducting SWCNT samples are simulated.
3：List of Experimental Equipment and Materials:
The simulations are performed using the ab initio code DFTB+ in Material Studio.
4：Experimental Procedures and Operational Workflow:
The Smart algorithm is used for optimizing doping CNT structures. The transmission spectrums are calculated by using the density functional theory and the non-equilibrium Green’s function (DFT-NEGF) method.
5：Data Analysis Methods:
The relationship between different distribution of doped lattice points (DDLP) and I-V curve is studied.
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