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The curvature influence of the graphene nanoribbon on its sensory properties

机译:石墨烯纳米带的曲率对其感官特性的影响

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摘要

The results of the theoretical investigation of the curvature influence of the strained graphene nanoribbon on its sensory properties are presented in the given work. The attachment mechanisms of hydrogen atoms to the plane and the wave-like graphene nanoribbon are studied by the tight-binding method. For the first time it was established, that the sensory properties of nanoribbon improve with increase of the surface curvature. It was revealed, that the potential well depth of interaction of the curved graphene with hydrogen atom is greater than the planar graphene. It was established, that the difference of the potential minima of the C-H interaction energy increases exponentially with the curvature increase.
机译:在给定的工作中提出了对应变石墨烯纳米带的曲率影响对其感官特性的理论研究的结果。通过紧密结合的方法研究了氢原子在平面上的附着机理以及波浪状的石墨烯纳米带。首次确定纳米带的感官特性随表面曲率的增加而提高。结果表明,弯曲石墨烯与氢原子相互作用的势阱深度大于平面石墨烯。可以确定的是,C-H相互作用能的极小值的差随曲率的增加而呈指数增加。

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