Magnetism in graphene induced by hydrogen adsorbates
Apstrakt
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.
Izvor:
Chemical Physics Letters, 2012, 541, 70-74Finansiranje / projekti:
- Elektronske, transportne i optičke osobine nanofaznih materijala (RS-MESTD-Basic Research (BR or ON)-171033)
- Danish Research Councils
DOI: 10.1016/j.cplett.2012.05.043
ISSN: 0009-2614
WoS: 000305802800014
Scopus: 2-s2.0-84862848243
Kolekcije
Institucija/grupa
VinčaTY - 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 . .