Formation of polybromine anions and concurrent heavy hole doping in carbon nanotubes | Zendy

Dongchul Sung | Zendy; Noejung Park | Zendy; Wanjun Park | Zendy; Suklyun Hong | Zendy

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Formation of polybromine anions and concurrent heavy hole doping in carbon nanotubes

Author(s) -

Dongchul Sung,

Noejung Park,

Wanjun Park,

Suklyun Hong

Publication year - 2007

Publication title -

applied physics letters

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 1.182

H-Index - 442

eISSN - 1077-3118

pISSN - 0003-6951

DOI - 10.1063/1.2710471

Subject(s) - carbon nanotube , bromine , molecule , doping , density functional theory , chemical physics , nanotube , optical properties of carbon nanotubes , chemistry , carbon fibers , electron transfer , aromaticity , selective chemistry of single walled nanotubes , electron , computational chemistry , atomic physics , molecular physics , materials science , nanotechnology , photochemistry , organic chemistry , physics , optoelectronics , quantum mechanics , composite number , composite material

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 (Br3 and Br5) are energetically favored than the common Br2 molecule. The transformation from bromine molecules (Br2) into Br3 or Br5 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 Br2 gas.open3

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