• 文献标题:   Theoretical study of core-loss electron energy-loss spectroscopy at graphene nanoribbon edges
  • 文献类型:   Article
  • 作  者:   FUJITA N, HASNIP PJ, PROBERT MIJ, YUAN J
  • 作者关键词:   graphene, nanoribbon, eels, dft
  • 出版物名称:   JOURNAL OF PHYSICSCONDENSED MATTER
  • ISSN:   0953-8984 EI 1361-648X
  • 通讯作者地址:   Canon Inc
  • 被引频次:   2
  • DOI:   10.1088/0953-8984/27/30/305301
  • 出版年:   2015

▎ 摘  要

A systematic study of simulated atomic-resolution electronic energy-loss spectroscopy (EELS) for different graphene nanoribbons (GNRs) is presented. The results of ab initio studies of carbon 1s core-loss EELS on GNRs with different ribbon edge structures and different hydrogen terminations show that theoretical core-loss EELS can distinguish key structural features at the atomic scale. In addition, the combination of polarized core-loss EELS with symmetry resolved electronic partial density of states calculations can be used to identify the origins of all the primary features in the spectra. For example, the nature of the GNR edge structure (armchair, zigzag, etc) can be identified, along with the degree of hydrogenation. Hence it is possible to use the combination of ab initio calculations with high resolution, high energy transmission core-loss EELS experiments to determine the local atomic arrangement and chemical bonding states (i.e. a structural fingerprint) in GNRs, which is essential for future practical applications of graphene.