Simulation of growth of porous SiOx nanostructures
Monte Carlo simulation of deposition of non-stoichiometric amorphous SiOx nanolayers from vapour phase. onto a polymer surface is reported. The model developed is based on the network properties of silica and takes into account dangling bonds arising during the real process of deposition. The model...
| Main Authors: | , , , |
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| Format: | Journal article |
| Language: | English |
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2002
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| _version_ | 1826280357849202688 |
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| author | Burlakov, V Tsukahara, Y Briggs, G Sutton, A |
| author_facet | Burlakov, V Tsukahara, Y Briggs, G Sutton, A |
| author_sort | Burlakov, V |
| collection | OXFORD |
| description | Monte Carlo simulation of deposition of non-stoichiometric amorphous SiOx nanolayers from vapour phase. onto a polymer surface is reported. The model developed is based on the network properties of silica and takes into account dangling bonds arising during the real process of deposition. The model is validated via comparison of the radial and bond angle distribution functions for the simulated Si and SiO2 structures with those obtained from experiment for bulk materials. Porosity of the simulated amorphous layer is characterised by the relative volume of pores and the ratio of the pore surfaces to the pore volume. It was found that porosity strongly depends on nucleation sites density (NSD) on the polymer substrate. At NSD lower than 1 nm(-2) the porosity may reach as much. as 30% of the layer volume, while at NSD higher than 4 nm(-2) it decreases down to 3/7%. Possible implications of the obtained results are discussed. |
| first_indexed | 2024-03-07T00:12:30Z |
| format | Journal article |
| id | oxford-uuid:79b9d07b-6063-40be-9bca-e9523b1496ce |
| institution | University of Oxford |
| language | English |
| last_indexed | 2024-03-07T00:12:30Z |
| publishDate | 2002 |
| record_format | dspace |
| spelling | oxford-uuid:79b9d07b-6063-40be-9bca-e9523b1496ce2022-03-26T20:39:12ZSimulation of growth of porous SiOx nanostructuresJournal articlehttp://purl.org/coar/resource_type/c_dcae04bcuuid:79b9d07b-6063-40be-9bca-e9523b1496ceEnglishSymplectic Elements at Oxford2002Burlakov, VTsukahara, YBriggs, GSutton, AMonte Carlo simulation of deposition of non-stoichiometric amorphous SiOx nanolayers from vapour phase. onto a polymer surface is reported. The model developed is based on the network properties of silica and takes into account dangling bonds arising during the real process of deposition. The model is validated via comparison of the radial and bond angle distribution functions for the simulated Si and SiO2 structures with those obtained from experiment for bulk materials. Porosity of the simulated amorphous layer is characterised by the relative volume of pores and the ratio of the pore surfaces to the pore volume. It was found that porosity strongly depends on nucleation sites density (NSD) on the polymer substrate. At NSD lower than 1 nm(-2) the porosity may reach as much. as 30% of the layer volume, while at NSD higher than 4 nm(-2) it decreases down to 3/7%. Possible implications of the obtained results are discussed. |
| spellingShingle | Burlakov, V Tsukahara, Y Briggs, G Sutton, A Simulation of growth of porous SiOx nanostructures |
| title | Simulation of growth of porous SiOx nanostructures |
| title_full | Simulation of growth of porous SiOx nanostructures |
| title_fullStr | Simulation of growth of porous SiOx nanostructures |
| title_full_unstemmed | Simulation of growth of porous SiOx nanostructures |
| title_short | Simulation of growth of porous SiOx nanostructures |
| title_sort | simulation of growth of porous siox nanostructures |
| work_keys_str_mv | AT burlakovv simulationofgrowthofporoussioxnanostructures AT tsukaharay simulationofgrowthofporoussioxnanostructures AT briggsg simulationofgrowthofporoussioxnanostructures AT suttona simulationofgrowthofporoussioxnanostructures |