Formation of polybromine anions and concurrent heavy hole doping in carbon nanotubesopen access
- Authors
- Sung, Dongchul; Park, Noejung; Park, Wanjun; Hong, Suklyun
- Issue Date
- Feb-2007
- Publisher
- AMER INST PHYSICS
- Citation
- APPLIED PHYSICS LETTERS, v.90, no.9, pp.1 - 4
- Indexed
- SCIE
SCOPUS
- Journal Title
- APPLIED PHYSICS LETTERS
- Volume
- 90
- Number
- 9
- Start Page
- 1
- End Page
- 4
- URI
- https://scholarworks.bwise.kr/hanyang/handle/2021.sw.hanyang/172341
- DOI
- 10.1063/1.2710471
- ISSN
- 0003-6951
- Abstract
- Using density-functional theory calculations, we investigate the atomic and electronic structure of the bromine species encapsulated in carbon nanotubes. We find that the odd-membered molecular structures (Br-3 and Br-5) are energetically favored than the common Br-2 molecule. The transformation from bromine molecules (Br-2) into Br-3 or Br-5 is found to be almost barrierless. A strong electron transfer from the nanotube to the adsorbates, which has been doubtful in previous studies, is accompanied by the formation of such odd-membered polybromine anions. We suggest that the tip-opened carbon nanotube samples can be heavily hole-doped after exposure to Br-2 gas.
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