• 文献标题:   Adsorption of hydrogen on the interface of a graphene/boron nitride hybrid atomic membrane
  • 文献类型:   Article
  • 作  者:   CAO T, FENG J, WANG EG
  • 作者关键词:  
  • 出版物名称:   PHYSICAL REVIEW B
  • ISSN:   1098-0121
  • 通讯作者地址:   Peking Univ
  • 被引频次:   7
  • DOI:   10.1103/PhysRevB.84.205447
  • 出版年:   2011

▎ 摘  要

The synthesis of a graphene/boron nitride hybrid atomic membrane offers a novel class of line interface that is chemically coherent at the atomic scale. We employ first-principles calculations to study the adsorption of atomic hydrogen at the interface of the graphene/boron nitride monolayer. We demonstrate that hydrogen shows a remarkable selective affinity toward the zigzag-type interface in the hybrid material, with notably higher binding energy compared to the bulk graphene, boron nitride, or the armchair interface. We also show that hydrogen adsorption can be a potential route for tuning the electronic property of the hybrid atomic membrane. Our calculation indicates that adding hydrogen to the zigzag interface can cause a semiconductor-to-metal transition in the material.