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Linear tuning of charge carriers in graphene by organic molecules and charge-transfer complexes

机译:通过有机分子和电荷转移络合物线性调节石墨烯中的载流子

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摘要

The electronic interactions of several organic donor/acceptor molecules or combination of these molecules (hereafter known as "charge-transfer complexes") with graphene have been investigated by first-principles calculations and photoemission spectroscopy experiments. It is found that the doping behavior of graphene can be controlled by the ratio of donor and acceptor molecules in the form of their charge-transfer complexes. The interfacial electronic structure of molecules adsorbed on graphene is dominated by the charge-transfer mechanism. The changes in work function of graphene modified by organic molecules are discussed in comparison with experiments and they are in good agreement with experimental data. Our results show that functionaliza-tion of graphene by acceptor/donor molecules and their charge-transfer complexes is an efficient way to control the doping behavior of graphene.
机译:已经通过第一原理计算和光发射光谱实验研究了几种有机供体/受体分子或这些分子的组合(以下称为“电荷转移络合物”)与石墨烯的电子相互作用。发现石墨烯的掺杂行为可以通过其电荷转移络合物形式的供体和受体分子的比例来控制。吸附在石墨烯上的分子的界面电子结构主要由电荷转移机制决定。与实验结果进行了比较,讨论了有机分子修饰的石墨烯功函数的变化,与实验数据吻合良好。我们的结果表明,通过受体/供体分子及其电荷转移配合物对石墨烯的功能化是控制石墨烯掺杂行为的有效方法。

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