Title:	Adsorption of C2H2-C2O3 on Si(001)
Authors:	Miotto, Ronei Ferraz, Armando Corbani Srivastava, G. P.
Assunto::	Silício Adsorção
Issue Date:	Jun-2004
Publisher:	Sociedade Brasileira de Física
Citation:	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.
Abstract:	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.
Licença::	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.
DOI:	https://dx.doi.org/10.1590/S0103-97332004000400006
Appears in Collections:	Artigos publicados em periódicos e afins

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