Article ID Journal Published Year Pages File Type
5352316 Applied Surface Science 2013 8 Pages PDF
Abstract
Three adsorption sites were taken into account for 5 × 5 × 1 graphenes, namely, Top, Bond and Center. The dotted line circle indicates the carbon atoms of graphene doped by nitrogen and/or boron. Three adsorption orientations of methane, including Down, Up and Parallel configurations.
Keywords
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
Adsorption of CH4 on nitrogen- and boron-containing carbon models of coal predicted by density-functional theory
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