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FROM GUEST EDITORIAL
Hemisorption of hydrogen on the diamond surface containing a “boron + vacancy” defect
O. Yu. Ananinaa, O. V. Ponomarevb, A. I. Ryazanovabc, N. A. Lvovabc a Physical Faculty, Zaporizhzhya National University, Zaporizhzhya, Ukraine
b Technological Institute for Superhard and Novel Carbon Materials, Troitsk, Moscow, Russia
c Moscow Institute of Physics and Technology, Dolgoprudny, Moscow Region, Russia
Аннотация:
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.
Ключевые слова:
C(100)–(2 $\times$ 1) diamond surface, quantum-chemical modeling, complex defect, BV-complex, adsorption.
Поступила в редакцию: 19.06.2017 Исправленный вариант: 18.10.2017
Образец цитирования:
O. Yu. Ananina, O. V. Ponomarev, A. I. Ryazanova, N. A. Lvova, “Hemisorption of hydrogen on the diamond surface containing a “boron + vacancy” defect”, Наносистемы: физика, химия, математика, 9:1 (2018), 61–63
Образцы ссылок на эту страницу:
https://www.mathnet.ru/rus/nano125 https://www.mathnet.ru/rus/nano/v9/i1/p61
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Страница аннотации: | 56 | PDF полного текста: | 70 |
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