• 文献标题:   Ab initio Investigations of Carbon Atoms Adsorbed on alpha-Al2O3 Surfaces in Relation to Graphene Growth
  • 文献类型:   Article
  • 作  者:   RYOU J, HONG S
  • 作者关键词:   graphene, sapphire surface, graphene growth, adsorption, ab initio calculation
  • 出版物名称:   JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN
  • ISSN:   0031-9015
  • 通讯作者地址:   Sejong Univ
  • 被引频次:   2
  • DOI:   10.7566/JPSJ.82.114709
  • 出版年:   2013

▎ 摘  要

Adsorption behaviors of carbon atoms on Al2O3(0001) are investigated to understand the graphene growth in its initial stage. For the most stable structure of carbon on sapphire, C-O binding is analyzed by examining projected density of states. Increased carbon atoms are found to form cluster structures such as chain-like or distorted graphene-like one. Due to strong C-O binding, at least one carbon atom of the cluster structures binds an oxygen atom of the sapphire surface. Combined with C-C interaction, this result may explain that carbon atoms on sapphire form nanocrystalline graphitic structures within a limited area, observed in experiment.