Density Functional Study of the Chemisorption of O2 Across Two Rings of the Armchair Surface of Graphite
- 22 March 2007
- journal article
- Published by American Chemical Society (ACS) in The Journal of Physical Chemistry C
- Vol. 111 (14), 5465-5473
- https://doi.org/10.1021/jp067363r
Abstract
No abstract availableThis publication has 17 references indexed in Scilit:
- Density functional study of the chemisorption of O2 on the zig-zag surface of graphiteCombustion and Flame, 2005
- On the Chemical Nature of Graphene Edges: Origin of Stability and Potential for Magnetism in Carbon MaterialsJournal of the American Chemical Society, 2005
- On the microscopic mechanism of carbon gasification: A theoretical studyCarbon, 2004
- A DFT Study of Interaction of Carbon Monoxide with Carbonaceous MaterialsThe Journal of Physical Chemistry B, 2003
- CO2 adsorption on carbonaceous surfaces: a combined experimental and theoretical studyCarbon, 2003
- Can Unrestricted Density-Functional Theory Describe Open Shell Singlet Biradicals?International Journal of Molecular Sciences, 2002
- First-Principles Kinetics of CO Desorption from Oxygen Species on Carbonaceous SurfaceThe Journal of Physical Chemistry A, 2002
- A study of the reaction of oxygen with graphite: Model chemistryFaraday Discussions, 2001
- A turnover model for carbon reactivity I. developmentCombustion and Flame, 2001
- Oxygen chemisorption on carbonSymposium (International) on Combustion, 1992