Theoretical study of oxygen chemisorption on (111) and (100) silicon surfaces |
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| Authors: | Nino Russo Marirosa Toscano Vincenzo Barone Francesco Lelj |
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| Affiliation: | Dipartimento di Chimica, Università della Calabria, I-87030 Arcavacata di Rende (CS, Italy;Dipartimento di Chimica, Università di Napoli, I-80134 Naples, Italy |
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| Abstract: | The chemisorption of atomic oxygen on (111) and (100) silicon surfaces has been studied by the MNDO method using a cluster approach. The results show that, for both surfaces, chemisorption occurs preferentially on bridge positions, but chemisorption on top positions can play a significant role especially for the (111) surface. |
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