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Danish Research Councils

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Magnetism in graphene induced by hydrogen adsorbates

Šljivančanin, Željko; Balog, Richard; Hornekaer, Liv

(2012)

TY  - JOUR
AU  - Šljivančanin, Željko
AU  - Balog, Richard
AU  - Hornekaer, Liv
PY  - 2012
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/4917
AB  - Applying density functional theory we studied magnetism in partially hydrogenated graphene. We demonstrated that the difference in the number of H atoms adsorbed on two graphene sublattices eta can be used as a parameter to predict stability of hydrogen structures on graphene. All favorable structures with even number of H atoms are non-magnetic, with eta equal to zero. Favorable structures with odd number of H adsorbates have eta equal to one, giving rise to a total magnetic moment of 1 mu(B). Structures with higher eta, including recently proposed graphone, are thermodynamically unfavorable and kinetically unstable at room temperature. (C) 2012 Elsevier B. V. All rights reserved.
T2  - Chemical Physics Letters
T1  - Magnetism in graphene induced by hydrogen adsorbates
VL  - 541
SP  - 70
EP  - 74
DO  - 10.1016/j.cplett.2012.05.043
ER  - 
@article{
author = "Šljivančanin, Željko and Balog, Richard and Hornekaer, Liv",
year = "2012",
abstract = "Applying density functional theory we studied magnetism in partially hydrogenated graphene. We demonstrated that the difference in the number of H atoms adsorbed on two graphene sublattices eta can be used as a parameter to predict stability of hydrogen structures on graphene. All favorable structures with even number of H atoms are non-magnetic, with eta equal to zero. Favorable structures with odd number of H adsorbates have eta equal to one, giving rise to a total magnetic moment of 1 mu(B). Structures with higher eta, including recently proposed graphone, are thermodynamically unfavorable and kinetically unstable at room temperature. (C) 2012 Elsevier B. V. All rights reserved.",
journal = "Chemical Physics Letters",
title = "Magnetism in graphene induced by hydrogen adsorbates",
volume = "541",
pages = "70-74",
doi = "10.1016/j.cplett.2012.05.043"
}
Šljivančanin, Ž., Balog, R.,& Hornekaer, L.. (2012). Magnetism in graphene induced by hydrogen adsorbates. in Chemical Physics Letters, 541, 70-74.
https://doi.org/10.1016/j.cplett.2012.05.043
Šljivančanin Ž, Balog R, Hornekaer L. Magnetism in graphene induced by hydrogen adsorbates. in Chemical Physics Letters. 2012;541:70-74.
doi:10.1016/j.cplett.2012.05.043 .
Šljivančanin, Željko, Balog, Richard, Hornekaer, Liv, "Magnetism in graphene induced by hydrogen adsorbates" in Chemical Physics Letters, 541 (2012):70-74,
https://doi.org/10.1016/j.cplett.2012.05.043 . .
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