The effect of electric current on chemical bonding of hydrogen adsorption on an aluminum nanowire
The effect of electric current on chemical bonding of hydrogen adsorption on an aluminum nanowire
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DOI：
10.1002/qua.26004
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发表时间：
2019-06
影响因子：
2.2
通讯作者：
Masato Senami;Shunji Matsunaga
中科院分区：
文献类型：
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作者：
Masato Senami;Shunji Matsunaga
采用非平衡绿色函数方法研究了电流对氢在铝纳米线表面吸附的影响。我们选择的模型研究在以前的工作中的一位作者作为铝纳米线模型和氢吸附的一个。这些纳米线模型具有导电能力，因为这些模型的铝部分是金属的。实验结果表明，电流影响氢原子在铝纳米线表面的吸附强度，电流越大，氢原子与铝纳米线表面成键的变化越大.然而，在偏压≤ 0.5 V范围内，化学键的变化很小，可以忽略。
The effect of electric current on hydrogen adsorption on an aluminum nanowire surface is studied by using nonequilibrium green function method. We choose the models studied in the previous work of one of the authors as an aluminum nanowire model and hydrogen adsorbed one. These nanowire models have conductive ability, since the aluminum part of these models is metallic. It is confirmed that electric current affects the strength of the adsorption of hydrogen atoms and the change of the bonding of hydrogen to aluminum nanowire surface is larger for larger current. However, the change of the chemical bonding is negligibly small within the bias voltage ≤ 0.5 V.