Excitons and peierls distortion in conjugated carbon nanotubes

Sergei Tretiak, Svetlana Kilina, Andrei Piryatinski, Avadh Saxena, Richard L. Martin, Alan R. Bishop

Результат исследований: Вклад в журналСтатьярецензирование

50 Цитирования (Scopus)

Аннотация

We investigate coupled excitonic and vibrational effects in carbon nanotubes using a time-dependent Hartree-Fock approach. The results reveal intricate details of excited-state dynamics. In the ground state, spontaneous uneven distribution of the n electrons over the bonds (i.e., Peierls dimerization) is observed throughout the entire nanotube, particularly in large-radius CNTs. However, we demonstrate that vibrational relaxation following photoexcitations leads to substantial local distortion of the tube surface, overriding the Peierls dimerization. This mutually affects the electronic system, resulting in localized states (self-trapped excitons). These phenomena critically control photoinduced dynamics and charge transport in nanotube materials.

Язык оригиналаАнглийский
Страницы (с-по)86-92
Число страниц7
ЖурналNano Letters
Том7
Номер выпуска1
DOI
СостояниеОпубликовано - янв. 2007
Опубликовано для внешнего пользованияДа

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