Università di Napoli Federico II, Dipartimento di Scienze Fisiche, Complesso Universitario Monte Sant'Angelo, Via Cintia, I-80126 Napoli, Italy.
Nanoscale. 2013 Jan 7;5(1):291-8. doi: 10.1039/c2nr31937c. Epub 2012 Nov 19.
We address the structural and electronic properties of graphene nanoribbons (GNRs) covalently immobilized on a metallic substrate by means of an organic layer. The GNR-organic layer and organic layer-metal interfaces can be thought of as constituents of a nanodevice and have been accurately studied using large-scale density functional theory calculations. Our results demonstrate the possibility of combining nanopatterned metal-organic layer substrates with selected GNRs to obtain well ordered and stable structures while preserving the GNR energy band gap, an essential requirement for any switching nanodevice.
我们通过有机层解决了通过有机层共价固定在金属基底上的石墨烯纳米带(GNR)的结构和电子性质。GNR-有机层和有机层-金属界面可以被视为纳米器件的组成部分,并使用大规模密度泛函理论计算进行了准确的研究。我们的研究结果表明,有可能将纳米图案化的金属-有机层基底与选定的 GNR 结合起来,获得良好的有序和稳定的结构,同时保持 GNR 的能带隙,这是任何开关纳米器件的基本要求。