Quasiphase Transition in a Single File of Water Molecules Encapsulated in (6,5) Carbon Nanotubes Observed by Temperature-Dependent Photoluminescence Spectroscopy
Abstract
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.
- Authors:
-
[3];
[3]
- Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Argonne National Lab. (ANL), Argonne, IL (United States). Center for Nanoscale Materials
- Univ. of Antwerp (Belgium). Experimental Condensed Matter Physics Lab.
- Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
- Publication Date:
- 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). Scientific User Facilities Division; Research Foundation-Flanders (FWO); Hercules Foundation; European Research Council (ERC)
- OSTI Identifier:
- 1473797
- Alternate Identifier(s):
- OSTI ID: 1339189
- Report Number(s):
- LA-UR-17-21871
Journal ID: ISSN 0031-9007; PRLTAO
- Grant/Contract Number:
- AC52-06NA25396; G040011N; G021112N; 1513513N; 1512716N; AUHA/13006; 679841
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Physical Review Letters
- Additional Journal Information:
- Journal Volume: 118; Journal Issue: 2; Journal ID: ISSN 0031-9007
- Publisher:
- American Physical Society (APS)
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 77 NANOSCIENCE AND NANOTECHNOLOGY; 36 MATERIALS SCIENCE; phase transitions; 1-dimensional systems; nanotubes; cryogenics; molecular dynamics; photoluminescence; single molecule techniques
Citation Formats
Ma, Xuedan, Cambré, Sofie, Wenseleers, Wim, Doorn, Stephen K., and Htoon, Han. Quasiphase Transition in a Single File of Water Molecules Encapsulated in (6,5) Carbon Nanotubes Observed by Temperature-Dependent Photoluminescence Spectroscopy. United States: N. p., 2017.
Web. doi:10.1103/PhysRevLett.118.027402.
Ma, Xuedan, Cambré, Sofie, Wenseleers, Wim, Doorn, Stephen K., & Htoon, Han. Quasiphase Transition in a Single File of Water Molecules Encapsulated in (6,5) Carbon Nanotubes Observed by Temperature-Dependent Photoluminescence Spectroscopy. United States. https://doi.org/10.1103/PhysRevLett.118.027402
Ma, Xuedan, Cambré, Sofie, Wenseleers, Wim, Doorn, Stephen K., and Htoon, Han. Thu .
"Quasiphase Transition in a Single File of Water Molecules Encapsulated in (6,5) Carbon Nanotubes Observed by Temperature-Dependent Photoluminescence Spectroscopy". United States. https://doi.org/10.1103/PhysRevLett.118.027402. https://www.osti.gov/servlets/purl/1473797.
@article{osti_1473797,
title = {Quasiphase Transition in a Single File of Water Molecules Encapsulated in (6,5) Carbon Nanotubes Observed by Temperature-Dependent Photoluminescence Spectroscopy},
author = {Ma, Xuedan and Cambré, Sofie and Wenseleers, Wim and Doorn, Stephen K. and Htoon, Han},
abstractNote = {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.},
doi = {10.1103/PhysRevLett.118.027402},
journal = {Physical Review Letters},
number = 2,
volume = 118,
place = {United States},
year = {2017},
month = {1}
}
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