ChemPhysChem, volume 13, issue 15, pages 3453-3456
Activation of Carbon Dioxide over Zinc Oxide by Localised Electrons
2
Computational Science and Engineering Department, STFC Daresbury Laboratory, Daresbury, Warrington WA4 4AD, United Kingdom.
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Publication type: Journal Article
Publication date: 2012-07-31
Journal:
ChemPhysChem
Quartile SCImago
Q2
Quartile WOS
Q2
Impact factor: 2.9
ISSN: 14394235, 14397641
Physical and Theoretical Chemistry
Atomic and Molecular Physics, and Optics
Abstract
The unique mechanism of activation of carbon dioxide over zinc oxide is unravelled using advanced quantum mechanical methods. The key process is the CO2 chemisorption catalysed by a highly localized electron carrier trapped at a vacant oxygen interstitial surface site. At the top of the reaction barrier CO2 pulls the electron from the vacancy and thus becomes active (see picture).
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GOST
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Dutta G. et al. Activation of Carbon Dioxide over Zinc Oxide by Localised Electrons // ChemPhysChem. 2012. Vol. 13. No. 15. pp. 3453-3456.
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Dutta G., Sokol A. A., Catlow C. R., Keal T. W., Sherwood P. Activation of Carbon Dioxide over Zinc Oxide by Localised Electrons // ChemPhysChem. 2012. Vol. 13. No. 15. pp. 3453-3456.
Cite this
RIS
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TY - JOUR
DO - 10.1002/cphc.201200517
UR - https://doi.org/10.1002/cphc.201200517
TI - Activation of Carbon Dioxide over Zinc Oxide by Localised Electrons
T2 - ChemPhysChem
AU - Dutta, Gargi
AU - Sokol, Alexey A
AU - Catlow, C. Richard
AU - Keal, Thomas W.
AU - Sherwood, Paul
PY - 2012
DA - 2012/07/31
PB - Wiley
SP - 3453-3456
IS - 15
VL - 13
SN - 1439-4235
SN - 1439-7641
ER -
Cite this
BibTex
Copy
@article{2012_Dutta,
author = {Gargi Dutta and Alexey A Sokol and C. Richard Catlow and Thomas W. Keal and Paul Sherwood},
title = {Activation of Carbon Dioxide over Zinc Oxide by Localised Electrons},
journal = {ChemPhysChem},
year = {2012},
volume = {13},
publisher = {Wiley},
month = {jul},
url = {https://doi.org/10.1002/cphc.201200517},
number = {15},
pages = {3453--3456},
doi = {10.1002/cphc.201200517}
}
Cite this
MLA
Copy
Dutta, Gargi, et al. “Activation of Carbon Dioxide over Zinc Oxide by Localised Electrons.” ChemPhysChem, vol. 13, no. 15, Jul. 2012, pp. 3453-3456. https://doi.org/10.1002/cphc.201200517.