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Adsorption of C2H2-C2O3 on Si(001)

The adsorption of maleic anhydride on the Si(001) surface was investigated using the first-principles pseudopotential formalism. Our results indicate that C2H2-C2O3 adsorbs through a [2+2] cycloaddition of the C-C bond to the dangling bonds of Si-Si dimers, as observed for other small hydrocarbons....

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Main Authors: Miotto, Ronei, Ferraz, Armando Corbani, Srivastava, G. P.
Format: Artigo
Language: English
Published: Sociedade Brasileira de Física 2017
Subjects:
Silício
Adsorção
Online Access: http://repositorio.unb.br/handle/10482/26251
https://dx.doi.org/10.1590/S0103-97332004000400006
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spelling ir-10482-262512021-11-30T14:06:30Z Adsorption of C2H2-C2O3 on Si(001) Miotto, Ronei Ferraz, Armando Corbani Srivastava, G. P. Silício Adsorção The adsorption of maleic anhydride on the Si(001) surface was investigated using the first-principles pseudopotential formalism. Our results indicate that C2H2-C2O3 adsorbs through a [2+2] cycloaddition of the C-C bond to the dangling bonds of Si-Si dimers, as observed for other small hydrocarbons. According to our calculations, the adsorption of a second maleic anhydride molecule will preferentially occur on first-neighbours Si-Si dimer sites in either the dimer chain our dimer row, i.e. considering a (4×2) reconstruction, C2H2-C2O3 can either form a linear chain or a zig-zag chain, depending on the growth conditions. Although both structures are found to be stable from the energetic point of view, only our STM theoretical images for the linear chain are comparable to available experimental data. 2017-12-07T04:39:32Z 2017-12-07T04:39:32Z 2004-06 Artigo MIOTTO, R.; FERRAZ, A. C.; SRIVASTAVA, G. P. Adsorption of C2H2-C2O3 on Si(001). Brazilian Journal of Physics, v. 34, n. 2b, p. 563-564, jun. 2004. DOI: https://doi.org/10.1590/S0103-97332004000400006. Disponível em: https://www.scielo.br/j/bjp/a/V63tRBj9PvdDy3wqtSPTrry/?lang=en#. Acesso em: 10 set. 2021. http://repositorio.unb.br/handle/10482/26251 https://dx.doi.org/10.1590/S0103-97332004000400006 en Acesso Aberto Brazilian Journal of Physics - This work is licensed under a Creative Commons Attribution-NonCommercial 4.0 International License (CC BY NC). Fonte: https://www.scielo.br/j/bjp/a/V63tRBj9PvdDy3wqtSPTrry/?lang=en#. Acesso em: 10 set. 2021. application/pdf Sociedade Brasileira de Física
institution REPOSITORIO UNB
collection REPOSITORIO UNB
language English
topic Silício
Adsorção
spellingShingle Silício
Adsorção
Miotto, Ronei
Ferraz, Armando Corbani
Srivastava, G. P.
Adsorption of C2H2-C2O3 on Si(001)
description The adsorption of maleic anhydride on the Si(001) surface was investigated using the first-principles pseudopotential formalism. Our results indicate that C2H2-C2O3 adsorbs through a [2+2] cycloaddition of the C-C bond to the dangling bonds of Si-Si dimers, as observed for other small hydrocarbons. According to our calculations, the adsorption of a second maleic anhydride molecule will preferentially occur on first-neighbours Si-Si dimer sites in either the dimer chain our dimer row, i.e. considering a (4×2) reconstruction, C2H2-C2O3 can either form a linear chain or a zig-zag chain, depending on the growth conditions. Although both structures are found to be stable from the energetic point of view, only our STM theoretical images for the linear chain are comparable to available experimental data.
format Artigo
author Miotto, Ronei
Ferraz, Armando Corbani
Srivastava, G. P.
author_sort Miotto, Ronei
title Adsorption of C2H2-C2O3 on Si(001)
title_short Adsorption of C2H2-C2O3 on Si(001)
title_full Adsorption of C2H2-C2O3 on Si(001)
title_fullStr Adsorption of C2H2-C2O3 on Si(001)
title_full_unstemmed Adsorption of C2H2-C2O3 on Si(001)
title_sort adsorption of c2h2-c2o3 on si(001)
publisher Sociedade Brasileira de Física
publishDate 2017
url http://repositorio.unb.br/handle/10482/26251
https://dx.doi.org/10.1590/S0103-97332004000400006
_version_ 1721216626428215296
score 13.657419

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