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Title: Geometry and energetics of CO adsorption on hydroxylated UiO-66

Abstract

Fundamental studies of CO adsorption on UiO-66 reveal adsorption occurs through interactions with the μ 3 -OH groups and once bound, CO binds through both the C- and O-end of the molecule.

Authors:
ORCiD logo [1]; ORCiD logo [1];  [1]; ORCiD logo [1]; ORCiD logo [1]; ORCiD logo [1]
  1. Department of Chemistry, Virginia Tech, Blacksburg, USA
Publication Date:
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1494782
Grant/Contract Number:  
SC0012445
Resource Type:
Publisher's Accepted Manuscript
Journal Name:
Physical Chemistry Chemical Physics
Additional Journal Information:
Journal Name: Physical Chemistry Chemical Physics Journal Volume: 21 Journal Issue: 9; Journal ID: ISSN 1463-9076
Publisher:
Royal Society of Chemistry (RSC)
Country of Publication:
United Kingdom
Language:
English

Citation Formats

Driscoll, Darren M., Troya, Diego, Usov, Pavel M., Maynes, Andrew J., Morris, Amanda J., and Morris, John R. Geometry and energetics of CO adsorption on hydroxylated UiO-66. United Kingdom: N. p., 2019. Web. doi:10.1039/C8CP07778A.
Driscoll, Darren M., Troya, Diego, Usov, Pavel M., Maynes, Andrew J., Morris, Amanda J., & Morris, John R. Geometry and energetics of CO adsorption on hydroxylated UiO-66. United Kingdom. doi:10.1039/C8CP07778A.
Driscoll, Darren M., Troya, Diego, Usov, Pavel M., Maynes, Andrew J., Morris, Amanda J., and Morris, John R. Wed . "Geometry and energetics of CO adsorption on hydroxylated UiO-66". United Kingdom. doi:10.1039/C8CP07778A.
@article{osti_1494782,
title = {Geometry and energetics of CO adsorption on hydroxylated UiO-66},
author = {Driscoll, Darren M. and Troya, Diego and Usov, Pavel M. and Maynes, Andrew J. and Morris, Amanda J. and Morris, John R.},
abstractNote = {Fundamental studies of CO adsorption on UiO-66 reveal adsorption occurs through interactions with the μ 3 -OH groups and once bound, CO binds through both the C- and O-end of the molecule.},
doi = {10.1039/C8CP07778A},
journal = {Physical Chemistry Chemical Physics},
number = 9,
volume = 21,
place = {United Kingdom},
year = {2019},
month = {2}
}

Journal Article:
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Works referenced in this record:

Postsynthetic Methods for the Functionalization of Metal�Organic Frameworks
journal, September 2011

  • Cohen, Seth M.
  • Chemical Reviews, Vol. 112, Issue 2, p. 970-1000
  • DOI: 10.1021/cr200179u

Carbon Dioxide Capture in Metal�Organic Frameworks
journal, September 2011

  • Sumida, Kenji; Rogow, David L.; Mason, Jarad A.
  • Chemical Reviews, Vol. 112, Issue 2, p. 724-781
  • DOI: 10.1021/cr2003272

A new local density functional for main-group thermochemistry, transition metal bonding, thermochemical kinetics, and noncovalent interactions
journal, November 2006

  • Zhao, Yan; Truhlar, Donald G.
  • The Journal of Chemical Physics, Vol. 125, Issue 19, Article No. 194101
  • DOI: 10.1063/1.2370993

Water Adsorption in Porous Metal�Organic Frameworks and Related Materials
journal, March 2014

  • Furukawa, Hiroyasu; G�ndara, Felipe; Zhang, Yue-Biao
  • Journal of the American Chemical Society, Vol. 136, Issue 11, p. 4369-4381
  • DOI: 10.1021/ja500330a

Effects of pelletization pressure on the physical and chemical properties of the metal�organic frameworks Cu3(BTC)2 and UiO-66
journal, September 2013


A New Zirconium Inorganic Building Brick Forming Metal Organic Frameworks with Exceptional Stability
journal, October 2008

  • Cavka, Jasmina Hafizovic; Jakobsen, S�ren; Olsbye, Unni
  • Journal of the American Chemical Society, Vol. 130, Issue 42, p. 13850-13851
  • DOI: 10.1021/ja8057953