Quasiphase transition in a single file of water molecules encapsulated in (6,5) carbon nanotubes observed by temperature-dependent photoluminescence spectroscopy

Molecules confined inside single-walled carbon nanotubes (SWCNTs) behave quite differently from their bulk analogues. In this Letter we present temperature-dependent (4.2 K up to room temperature) photoluminescence (PL) spectra of water-filled and empty single-chirality (6,5) SWCNTs. Superimposed on a linear temperature-dependent PL spectral shift of the empty SWCNTs, an additional stepwise PL spectral shift of the water-filled SWCNTs is observed at ∼150 K. With the empty SWCNTs serving as an ideal reference system, we assign this shift to temperature-induced changes occurring in the single-file chain of water molecules encapsulated in the tubes. Our molecular dynamics simulations further support the occurrence of a quasiphase transition of the orientational order of the water dipoles in the single-file chain.

Publication year:2017

Keywords:A1 Journal article

BOF-keylabel:yes

BOF-publication weight:6

CSS-citation score:2

Authors:International

Authors from:Higher Education

Accessibility:Open