Aberration corrected imaging of a carbon nanotube encapsulated lindqvist ion and correlation with density functional theory

J. Sloan, E. Bichoutskaia, Z. Liu, N. Kuganathan, E. Faulques, K. Suenaga, I. J. Shannon

Research output: Contribution to journalConference article

2 Citations (Scopus)

Abstract

80 kV aberration-corrected transmission electron microscopy (AC-TEM) of discrete [W6O19]2- polyoxometalate ions mounted within double walled carbon nanotubes (DWNTs) allow high precision structural studies to be performed. W atom column separations within the octahedral W 6 tungsten template can be visualized with sufficient clarity that correlation with full-scale density functional theory (DFT) can be achieved. Calculations performed on the gas phase and DWNT-mounted [W6O 19]2- anions show good agreement, in the latter case, with measured separations between pairs of W2 atom columns imaged within equatorial WO6 octahedra and single W atoms within axial WO 6 octahedra. Structural data from the tilted chiral encapsulating DWNT was also determined simultaneously with the anion structural measurements, allowing the nanotube conformation to be addressed in the DFT calculations.

Original languageEnglish
Article number012018
JournalJournal of Physics: Conference Series
Volume371
DOIs
Publication statusPublished - 1 Jan 2012
Externally publishedYes
EventElectron Microscopy and Analysis Group Conference 2011, EMAG 2011 - Birmingham, United Kingdom
Duration: 6 Sep 20119 Sep 2011

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aberration
carbon nanotubes
density functional theory
anions
atoms
ions
clarity
encapsulating
nanotubes
tungsten
templates
vapor phases
transmission electron microscopy

ASJC Scopus subject areas

  • Physics and Astronomy(all)

Cite this

Aberration corrected imaging of a carbon nanotube encapsulated lindqvist ion and correlation with density functional theory. / Sloan, J.; Bichoutskaia, E.; Liu, Z.; Kuganathan, N.; Faulques, E.; Suenaga, K.; Shannon, I. J.

In: Journal of Physics: Conference Series, Vol. 371, 012018, 01.01.2012.

Research output: Contribution to journalConference article

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AU - Faulques, E.

AU - Suenaga, K.

AU - Shannon, I. J.

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