The simulation of the adsorption of unsaturated cyclic hydrocarbons on the (001)-2 × 1 reconstructed silicon surface by the monte carlo and transfer-matrix methods Full article
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Russian Journal of Physical Chemistry A
ISSN: 0036-0244 , E-ISSN: 1531-863X |
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| Output data | Year: 2011, Volume: 85, Number: 1, Pages: 94-101 Pages count : 8 DOI: 10.1134/S0036024411010080 | ||||
| Tags | adsorption, unsaturated cyclic hydrocarbons, silicon, Monte Carlo method | ||||
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Abstract:
A model of the adsorption of cyclic unsaturated molecules on the Si(001)-2 × 1 reconstructed sur- face was developed for the example of 1,4-cyclohexadiene, which can be differently adsorbed on surface adsorption centers. Calculations were performed for a grand canonical ensemble by the Monte Carlo and transfer matrix methods. The structure of the ordered phases formed and the conditions of their appearance were studied in detail. It was shown that the suggested model reproduced all the qualitative special features of the system studied and similar systems. © Pleiades Publishing, Ltd., 2011.
Cite:
Gorbunov V.A.
, Myshlyavtsev A.V.
, Myshlyavtseva M.D.
, Fefelov V.F.
The simulation of the adsorption of unsaturated cyclic hydrocarbons on the (001)-2 × 1 reconstructed silicon surface by the monte carlo and transfer-matrix methods
Russian Journal of Physical Chemistry A. 2011. V.85. N1. P.94-101. DOI: 10.1134/S0036024411010080 WOS Scopus РИНЦ OpenAlex
The simulation of the adsorption of unsaturated cyclic hydrocarbons on the (001)-2 × 1 reconstructed silicon surface by the monte carlo and transfer-matrix methods
Russian Journal of Physical Chemistry A. 2011. V.85. N1. P.94-101. DOI: 10.1134/S0036024411010080 WOS Scopus РИНЦ OpenAlex
Original:
Горбунов В.А.
, Мышлявцев А.В.
, Мышлявцева М.Д.
, Фефелов В.Ф.
Моделирование адсорбции ненасыщенных циклических углеводородов на реконструированной поверхности кремния (001)-2 ? 1 методами Монте-Карло и трансфер-матрицы
Журнал физической химии. 2011. Т.85. №1. С.99-106. РИНЦ
Моделирование адсорбции ненасыщенных циклических углеводородов на реконструированной поверхности кремния (001)-2 ? 1 методами Монте-Карло и трансфер-матрицы
Журнал физической химии. 2011. Т.85. №1. С.99-106. РИНЦ
Dates:
| Submitted: | Jan 29, 2010 |
| Published online: | Dec 23, 2010 |
| Published print: | Jan 1, 2011 |
Identifiers:
| Web of science: | WOS:000288387800018 |
| Scopus: | 2-s2.0-79951799125 |
| Elibrary: | 16732607 |
| OpenAlex: | W2074662991 |