Atomic chemisorption on graphene with St
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L. Chen; H. Hu; Yu. Ouyang; H.Z. Pan; Y.Y. Sun; F. Liu
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Article
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2011
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Elsevier Science
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English
β 978 KB
Using first-principles calculations, we investigate the chemisorption of H, N, and P atoms on a graphene substrate with or without Stone-Thrower-Wales (STW) defects. Energetically, all three atoms are preferred to adsorb onto the defect sites by an energy difference of $0.683-2.143 eV. In both the i