Improving electronic transport of zigzag graphene nanoribbons by ordered doping of B or N atoms
Improving electronic transport of zigzag graphene nanoribbons by ordered doping of B or N atoms
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DOI：
10.1039/c2cp42123b
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发表时间：
2012-01-01
影响因子：
3.3
通讯作者：
Yang, Zhongqin
中科院分区：
文献类型：
--
作者：
An, Yipeng;Wei, Xinyuan;Yang, Zhongqin
采用从头算方法研究了有序掺杂B或N原子的锯齿型石墨烯纳米带的电子结构和输运性质。我们发现B或N原子的掺杂可以显着增加的ZGNRs的电导与偶数锯齿形链由于额外的导电通道被诱导和奇偶限制的击穿。掺杂浓度越高，获得的电流放大因子越大。对于具有一排B（或N）原子的纳米结，当掺杂位置靠近中心时，电流放大因子可以更大，而对于具有两排的纳米结，由于两排B（或N）原子之间的相互作用，电流放大因子的趋势是微妙的。在低浓度下B掺杂和N掺杂的情况下，发现了负微分电阻现象。通过掺杂B或N原子也可以增加具有奇数个锯齿形链的ZGNR的电导。更有趣的是，B或N掺杂几乎可以完全消除对ZGNR的电子输运的奇偶效应。我们的研究提供了大幅改善ZGNRs电子传输的途径，有助于石墨烯应用。
Using an ab initio method, we explored electronic structures and transport properties of zigzag graphene nanoribbons (ZGNRs) with ordered doping of B or N atoms. We find B or N atoms doping can increase significantly the conductance of the ZGNRs with an even number of zigzag chains due to additional conducting channels being induced and the breakdown of parity limitation. The higher the doping concentration, the larger the current amplification factor obtained. For the nanojunctions with one row B (or N) atoms, the current amplification factor can be larger when the doping position is near to the center, while for the junction with two rows, the trend is subtle due to the interactions between the two rows of B (or N) atoms. Negative differential resistive phenomena are found for the case of B doping at low concentrations and the case for N doping. The conductance of the ZGNR with odd numbers of zigzag chains can also be increased by doping of B or N atoms. More interestingly, the B or N doping can almost completely remove the even-odd effect on electronic transport of the ZGNRs. Our studies provide avenues to drastically improve the electronic transport of ZGNRs, helpful for graphene applications.