• 文献标题:   From graphene to graphene ribbons: atomically precise cutting via hydrogenation pseudo-crack
  • 文献类型:   Article
  • 作  者:   QI CG, PENG WF, ZHOU JX, YI LJ, WANG J, ZHANG YY
  • 作者关键词:   hydrogenation pseudocrack, cutting, molecular dynamics simulation, graphene nanoribbon
  • 出版物名称:   NANOTECHNOLOGY
  • ISSN:   0957-4484 EI 1361-6528
  • 通讯作者地址:   Ningbo Univ
  • 被引频次:   0
  • DOI:   10.1088/1361-6528/ab9046
  • 出版年:   2020

▎ 摘  要

The properties and applications of graphene nanoribbons (GNRs) depend heavily on their shape and size, making precise design and construction at atomic scale significantly important. Herein, we show that pseudo-cracking is a feasible method for creating atomically precise GNRs. By using molecular dynamics (MD) simulation, we find that hydrogenation can act as a pseudo-crack to trigger the fracture of graphene along the hydrogenation line and cut the graphene into a GNR. Precise GNRs with a desired width, edge type and associated properties can be realized in a controllable way by manipulating the position and dimension of the hydrogenation pseudo-crack. We also find that it is better to use hydrogenation pseudo-cracks along the armchair direction to cut graphene at lower forces into GNRs with smooth edges. Our findings suggest a promising approach to cut graphene and other two-dimensional materials into nanoribbons effectively and accurately.