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首页> 外文期刊>AIP Advances >Modulation of the electron transport properties in graphene nanoribbons doped with BN chains
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Modulation of the electron transport properties in graphene nanoribbons doped with BN chains

机译：BN掺杂石墨烯纳米带中电子输运性质的调控

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Using density-functional theory and the non-equilibrium Green's function method, the electron transport properties of zigzag graphene nanoribbons (ZGNRs) doped with BN chains are studied by systematically calculating the energy band structure, density of states and the transmission spectra for the systems. The BN chains destroyed the electronic transport properties of the ZGNRs, and an energy gap appeared for the ZGNRs, and displayed variations from a metal to a wide-gap semiconductor. With an increase in the number of BN chains, the band gap increased gradually in the band structure and the transmission coefficient decreased near the Fermi surface. Additionally, the doping position had a significant effect on the electronic properties of the ZGNRs.
机译：利用密度泛函理论和非平衡格林函数方法，通过系统计算能带结构，态密度和透射光谱，研究了掺杂BN链的曲折石墨烯纳米带（ZGNRs）的电子输运性质。 BN链破坏了ZGNR的电子传输性能，ZGNR出现了能隙，并显示了从金属到宽隙半导体的变化。随着BN链数目的增加，带隙在带结构中逐渐增加，并且在费米表面附近的透射系数减小。此外，掺杂位置对ZGNR的电子性能有重要影响。

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