Hydrogen adsorption and anomalous electronic properties of nitrogen-doped graphene

Yoshitaka Fujimoto, Susumu Saito

Research output: Contribution to journalArticlepeer-review

49 Citations (Scopus)

Abstract

We investigate hydrogen adsorption effects on stabilities and electronic properties of nitrogen defects in graphene using first-principles electronic-structure calculations within the density-functional theory. We find that the adsorption of hydrogen atoms on the pyridine-type nitrogen defects in graphene becomes energetically favorable, whereas in the case of the substitutional nitrogen defect the hydrogen adsorption becomes unfavorable. We also find that a transition from p-type to n-type doping properties occurs by hydrogen adsorption on the pyridine-type defects, suggesting that even the carrier type is controllable in nitrogen-doped graphene.

Original languageEnglish
Article number153701
JournalJournal of Applied Physics
Volume115
Issue number15
DOIs
Publication statusPublished - Apr 21 2014
Externally publishedYes

All Science Journal Classification (ASJC) codes

  • Physics and Astronomy(all)

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