• 文献标题:   Polarized Vibrational Infrared Absorption of Graphene Nanoribbons
  • 文献类型:   Article
  • 作  者:   LUO GF, LI H, WANG L, LAI L, ZHOU J, QIN R, LU J, MEI WN, GAO ZX
  • 作者关键词:  
  • 出版物名称:   JOURNAL OF PHYSICAL CHEMISTRY C
  • ISSN:   1932-7447
  • 通讯作者地址:   Peking Univ
  • 被引频次:   11
  • DOI:   10.1021/jp912000x
  • 出版年:   2010

▎ 摘  要

We present for the first time the linearly polarized vibrational infrared spectra of edge-hydrogenated armchair and zigzag graphene nanoribbons (GNRs) through first-principles calculations. We find that there exists a prominent and width-insensitive peak in both GNRs for out-of-plane polarization, which can be used as a benchmark in measurements. In the major absorption regions of all polarizations, we observe noticeable differences between the two GNR types. In armchair GNRs, the spectra for in-plane polarization oscillate with the ribbon width, while in zigzag GNRs the dispersion relationship bears close resemblance with that of graphene. We also discover a special peak that reflects the mirror symmetry between the two edges of zigzag GNRs. Finally, the quenching of magnetism and oxygen-passivation are revealed to remarkably influence the infrared spectra. Our work provides a new insight into GNR fundamental property and is expected to help confront the current problem of edge structure and magnetism identification of GNRs.