@article{oai:kanazawa-u.repo.nii.ac.jp:00059292,
 author = {斎藤, 峯雄 and Nurainun, Nyayu Siti and Lin, Jianbo and Alam, Mohammad Shafiul and Nishida, Kazunori and Saito, Mineo},
 issue = {4},
 journal = {Transactions of the Materials Research Society of Japan},
 month = {},
 note = {We study mono-hydrogen and hydrogen-vacancy pair in graphene by using first-principles calculations. In the most stable structure of mono-hydrogen, the hydrogen atom is bonded to one of the carbon atoms in the graphene sheet. The energy of the most stable spin-polarized state is 80 meV lower than that of the nonmagnetic state. We also study the hydrogen mono-vacancy pair. The dissociation energy of this pair into mono-vacancy and mono-hydrogen in graphene is positive (3.0eV). Therefore, when hydrogen diffuses, this complex is expected to be formed and this pair is nonmagnetic., 金沢大学ナノマテリアル研究所 / 金沢大学理工研究域数物科学系},
 pages = {619--621},
 title = {First-Principles Calculations of Hydrogen and Hydrogen-Vacancy Pairs in Graphene},
 volume = {36},
 year = {2011}
}