Department of Chemistry, University of Calcutta, 92, A.P.C. Road, Kolkata 700 009, India.
Phys Chem Chem Phys. 2012 Jul 14;14(26):9439-43. doi: 10.1039/c2cp24015g. Epub 2012 May 31.
Herein, we predict that graphene nanoribbons will be nonplanar under the influence of a critical perpendicular field. Our investigation demonstrates that the perpendicular field induces mixing of σ and π orbitals in graphene nanoribbons through the second order Stark effect which eventually modulates the electron-nuclear interaction strongly in favor of a bent structure.
在此，我们预测在临界垂直场的影响下，石墨烯纳米带将是非平面的。我们的研究表明，垂直场通过二级斯塔克效应诱导石墨烯纳米带中的 σ 和 π 轨道混合，最终强烈调节电子-核相互作用有利于弯曲结构。
