Enhanced thermoelectric performance of graphene nanoribbons
Enhanced thermoelectric performance of graphene nanoribbons
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DOI：
10.1063/1.3689780
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发表时间：
2012-02
影响因子：
4
通讯作者：
H. Zheng;H. J. Liu;X. Tan;H. Lv;L. Pan;J. Shi;X. Tang
中科院分区：
文献类型：
--
作者：
H. Zheng;H. J. Liu;X. Tan;H. Lv;L. Pan;J. Shi;X. Tang
采用非平衡格林函数方法和分子动力学模拟研究了一系列窄宽度的扶手椅式和锯齿形石墨烯纳米带的热电性能。研究发现，当边缘原子被氢钝化时，这些纳米带相当稳定，并且具有扶手椅边缘的纳米带表现出比锯齿形纳米带更好的热电性能。此外，相应的ZT值随着带宽度的减小而增大。通过优化掺杂水平，最窄的扶手椅纳米带的室温 ZT 可以达到 6.0。显着提高的 ZT 值使扶手椅石墨烯纳米带成为热电应用的有希望的候选者。
The thermoelectric properties of a series of armchair and zigzag graphene nanoribbons with narrow width are examined using nonequilibrium Green function method and molecular dynamics simulations. It is found that these nanoribbons are rather stable when the edge atoms are passivated by hydrogen and those with armchair edges exhibit much better thermoelectric performance than their zigzag counterparts. Moreover, the corresponding ZT value increases with decreasing ribbon width. By optimizing the doping level, a room temperature ZT of 6.0 can be achieved for the narrowest armchair nanoribbon. The significantly enhanced ZT value makes armchair graphene nanoribbon a promising candidate for thermoelectric applications.