Kharlamova, M.V.; Yashina, L.V.; Volykhov, A.A.; Niu, J.J.; Neudachina, V.S.; Brzhezinskaya, M.M.; Zyubina, T.S.; Belogorokhov, A.I.; Eliseev, A.A.: Acceptor doping of single-walled carbon nanotubes by encapsulation of zinc halogenides. The European Physical Journal B 85 (2012), p. 34/1-8
10.1140/epjb/e2011-20457-6
Abstract:
To modify the electronic properties of single-walled carbon nanotubes (SWCNTs), ZnX2@SWCNT (X = Cl, Br, I) nanostructures were prepared by capillary filling of 1.4–1.6 nm singlewalled carbon nanotubes (SWCNT) with zinc halogenide melts. The loading factor is estimated as 30% for ZnCl2 and approximately 60% for ZnBr2 and ZnI2. Well-ordered 1D crystals were observed by TEM only for ZnI2@SWCNT. We propose two possible atomic structures of the 1D crystals, (Zn4I7)n and less stable (Zn4I9)n. According to the optical absorption and photoemission data, there is a charge transfer from the nanotube to the filler for all ZnX2@SWCNT nanostructures. The results of the DFT PW-GGA modeling indicate that the acceptor properties correspond to (Zn4I9)n only.