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Title: Is there a Difference in Van Der Waals Interactions between Rare Gas Atoms Adsorbed on Metallic and Semiconducting Single-Walled Carbon Nanotubes?

Abstract

Differences in polarizabilities of metallic (M) and semiconducting (S) single-walled carbon nanotubes (SWNTs) might give rise to differences in adsorption potentials. We show from experiments and van der Waals-corrected density functional theory (DFT) that binding energies of Xe adsorbed on M- and S-SWNTs are nearly identical. Temperature programmed desorption of Xe on purified M- and S-SWNTs give similar peak temperatures, indicating that desorption kinetics and binding energies are independent of the type of SWNT. Binding energies computed from vdW-corrected DFT are in good agreement with experiments.

Authors:
 [1];  [2];  [1];  [2];  [3];  [4]
  1. Univ. of Pittsburgh, PA (United States). Dept. of Chemical and Petroleum Engineering
  2. Univ. of Virginia, Charlottesville, VA (United States). Dept. of Chemistry
  3. Pennsylvania State Univ., University Park, PA (United States). Dept of Physics
  4. Univ. of Pittsburgh, PA (United States). Dept. of Chemical and Petroleum Engineering; National Energy Technology Lab. (NETL), Pittsburgh, PA, (United States)
Publication Date:
Research Org.:
National Energy Technology Lab. (NETL), Pittsburgh, PA, and Morgantown, WV (United States). In-house Research
Sponsoring Org.:
USDOE Office of Fossil Energy (FE)
OSTI Identifier:
1127347
Report Number(s):
A-UNIV-PUB-014
Journal ID: ISSN 0031-9007; PRLTAO
DOE Contract Number:  
FE0004000
Resource Type:
Journal Article
Resource Relation:
Journal Name: Physical Review Letters; Journal Volume: 110; Journal Issue: 13
Country of Publication:
United States
Language:
English
Subject:
77 NANOSCIENCE AND NANOTECHNOLOGY

Citation Formats

Chen, De-Li, Mandeltort, Lynn, Saidi, Wissam A., Yates, John T., Cole, Milton W., and Johnson, J. Karl. Is there a Difference in Van Der Waals Interactions between Rare Gas Atoms Adsorbed on Metallic and Semiconducting Single-Walled Carbon Nanotubes?. United States: N. p., 2013. Web. doi:10.1103/PhysRevLett.110.135503.
Chen, De-Li, Mandeltort, Lynn, Saidi, Wissam A., Yates, John T., Cole, Milton W., & Johnson, J. Karl. Is there a Difference in Van Der Waals Interactions between Rare Gas Atoms Adsorbed on Metallic and Semiconducting Single-Walled Carbon Nanotubes?. United States. doi:10.1103/PhysRevLett.110.135503.
Chen, De-Li, Mandeltort, Lynn, Saidi, Wissam A., Yates, John T., Cole, Milton W., and Johnson, J. Karl. Fri . "Is there a Difference in Van Der Waals Interactions between Rare Gas Atoms Adsorbed on Metallic and Semiconducting Single-Walled Carbon Nanotubes?". United States. doi:10.1103/PhysRevLett.110.135503. https://www.osti.gov/servlets/purl/1127347.
@article{osti_1127347,
title = {Is there a Difference in Van Der Waals Interactions between Rare Gas Atoms Adsorbed on Metallic and Semiconducting Single-Walled Carbon Nanotubes?},
author = {Chen, De-Li and Mandeltort, Lynn and Saidi, Wissam A. and Yates, John T. and Cole, Milton W. and Johnson, J. Karl},
abstractNote = {Differences in polarizabilities of metallic (M) and semiconducting (S) single-walled carbon nanotubes (SWNTs) might give rise to differences in adsorption potentials. We show from experiments and van der Waals-corrected density functional theory (DFT) that binding energies of Xe adsorbed on M- and S-SWNTs are nearly identical. Temperature programmed desorption of Xe on purified M- and S-SWNTs give similar peak temperatures, indicating that desorption kinetics and binding energies are independent of the type of SWNT. Binding energies computed from vdW-corrected DFT are in good agreement with experiments.},
doi = {10.1103/PhysRevLett.110.135503},
journal = {Physical Review Letters},
number = 13,
volume = 110,
place = {United States},
year = {Fri Mar 01 00:00:00 EST 2013},
month = {Fri Mar 01 00:00:00 EST 2013}
}