Geodesic
Hemisorption of hydrogen on the diamond surface containing a ``boron + vacancy'' defect
Nanosistemy: fizika, himiâ, matematika, Tome 9 (2018) no. 1, pp. 61-63.

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In this paper, we present the results of quantum-chemical modeling for atomic hydrogen adsorption on the C(100)–(2 $\times$ 1) diamond surface containing a “boron + monovacancy” complex defect. We also provide a comparison of the energy characteristics of adsorption (activation energy and adsorption heat) for an ordered diamond surface, graphene surface, and a surface containing a “boron + monovacancy” complex defect.
Keywords: C(100)–(2 $\times$ 1) diamond surface, quantum-chemical modeling, complex defect, BV-complex
Mots-clés : adsorption. 
@article{NANO_2018_9_1_a13,
     author = {O. Yu. Ananina and O. V. Ponomarev and A. I. Ryazanova and N. A. Lvova},
     title = {Hemisorption of hydrogen on the diamond surface containing a ``boron + vacancy'' defect},
     journal = {Nanosistemy: fizika, himi\^a, matematika},
     pages = {61--63},
     publisher = {mathdoc},
     volume = {9},
     number = {1},
     year = {2018},
     language = {en},
     url = {http://geodesic.mathdoc.fr/item/NANO_2018_9_1_a13/}
}
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O. Yu. Ananina; O. V. Ponomarev; A. I. Ryazanova; N. A. Lvova. Hemisorption of hydrogen on the diamond surface containing a ``boron + vacancy'' defect. Nanosistemy: fizika, himiâ, matematika, Tome 9 (2018) no. 1, pp. 61-63. http://geodesic.mathdoc.fr/item/NANO_2018_9_1_a13/