Quasiphase Transition in a Single File of Water Molecules Encapsulated in (6,5) Carbon Nanotubes Observed by Temperature-Dependent Photoluminescence Spectroscopy

Ma, Xuedan; Cambré, Sofie; Wenseleers, Wim; Doorn, Stephen K.; Htoon, Han

doi:10.1103/PhysRevLett.118.027402

Title: Quasiphase Transition in a Single File of Water Molecules Encapsulated in (6,5) Carbon Nanotubes Observed by Temperature-Dependent Photoluminescence Spectroscopy

Journal Article · Thu Jan 12 00:00:00 EST 2017 · Physical Review Letters

DOI:https://doi.org/10.1103/PhysRevLett.118.027402· OSTI ID:1473797

Ma, Xuedan ^[1]; Cambré, Sofie ^[2]; Wenseleers, Wim ^[2];

^[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)

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.

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Research Organization:: Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

Sponsoring Organization:: 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)

Grant/Contract Number:: AC52-06NA25396; G040011N; G021112N; 1513513N; 1512716N; AUHA/13006; 679841

OSTI ID:: 1473797

Alternate ID(s):: OSTI ID: 1339189

Report Number(s):: LA-UR-17-21871; PRLTAO

Journal Information:: Physical Review Letters, Vol. 118, Issue 2; ISSN 0031-9007

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 36 works

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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

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