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Title: 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 work 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.
 [1] ;  [2] ;  [2] ; ORCiD logo [3] ; ORCiD logo [3]
  1. Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Argonne National Lab. (ANL), Argonne, IL (United States). Center for Nanoscale Materials
  2. Univ. of Antwerp (Belgium). Experimental Condensed Matter Physics Lab.
  3. Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
Publication Date:
Report Number(s):
Journal ID: ISSN 0031-9007; PRLTAO
Grant/Contract Number:
AC52-06NA25396; G040011N; G021112N; 1513513N; 1512716N; AUHA/13006; 679841
Accepted Manuscript
Journal Name:
Physical Review Letters
Additional Journal Information:
Journal Volume: 118; Journal Issue: 2; Journal ID: ISSN 0031-9007
American Physical Society (APS)
Research Org:
Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
Sponsoring Org:
USDOE Laboratory Directed Research and Development (LDRD) Program; USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22). Scientific User Facilities Division; Research Foundation-Flanders (FWO); Hercules Foundation; European Research Council (ERC)
Country of Publication:
United States
77 NANOSCIENCE AND NANOTECHNOLOGY; 36 MATERIALS SCIENCE; phase transitions; 1-dimensional systems; nanotubes; cryogenics; molecular dynamics; photoluminescence; single molecule techniques
OSTI Identifier:
Alternate Identifier(s):
OSTI ID: 1339189