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Trends of elemental adsorption on graphene

机译:石墨烯上元素吸附的趋势

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Adding impurities or doping through adsorption is an effective way to tailor the properties of graphene-based materials. The capability of making predictions with regard to the trends of elemental adsorption on graphene is crucial to a better understanding of the more complex adsorption cases. It also provides useful guidelines for fabricating 2D graphene materials with novel properties. In this review, we show trends of elemental adsorption on graphene with elements of the periodic table, based on previous studies and supplemented with our recent calculations. We also discuss the effects of atomic ratios on some properties of this element-adsorbed graphene system. Trends of properties studied include binding energy, most stable site, adatom height, migration energy, Fermi energy shift, graphene distortion, magnetization, charge transfer, and electronic energy band gap at Fermi energy. Certainly, there is ample scope to investigate the electronic structures of elemental adsorption on graphene based on period and group of the periodic table, and atomic ratio.
机译:添加杂质或通过吸附掺杂是调整石墨烯基材料性能的有效方法。对石墨烯上元素吸附趋势进行预测的能力对于更好地理解更复杂的吸附情况至关重要。它还为制造具有新颖特性的2D石墨烯材料提供了有用的指导。在这篇综述中,我们根据以前的研究并结合我们的最新计算,给出了元素周期表中元素在石墨烯上的吸附趋势。我们还讨论了原子比对这种元素吸附的石墨烯体系的某些性能的影响。研究的性质趋势包括结合能,最稳定的位点,原子高度,迁移能,费米能移,石墨烯变形,磁化,电荷转移以及费米能级的电子能带隙。当然,基于元素周期表的周期和基团以及原子比,研究在石墨烯上元素吸附的电子结构有足够的空间。

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