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Chemical functionalization of graphene by H adsorption on Stone-Thrower-Wales defects

✍ Scribed by Li Chen; Jianfu Li; Daoyong Li; Mingzhen Wei; Xiaoli Wang

Book ID
119373318
Publisher
Elsevier Science
Year
2012
Tongue
English
Weight
790 KB
Volume
152
Category
Article
ISSN
0038-1098

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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