Hydrolysis of the amorphous silica surface. II. Calculation of activation barriers and mechanisms
The dry, amorphous, hydrophilic SiO2 surface is analyzed using cluster models. The reactivity of generic defect sites on the surface is analyzed with respect to water. The local network rearrangement that accompanies hydrolysis at these sites are studied.
| Main Authors: | , , |
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| Format: | Journal article |
| Language: | English |
| Published: |
American Inst of Physics
2000
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| _version_ | 1797052778810441728 |
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| author | Walsh, T Wilson, M Sutton, A |
| author_facet | Walsh, T Wilson, M Sutton, A |
| author_sort | Walsh, T |
| collection | OXFORD |
| description | The dry, amorphous, hydrophilic SiO2 surface is analyzed using cluster models. The reactivity of generic defect sites on the surface is analyzed with respect to water. The local network rearrangement that accompanies hydrolysis at these sites are studied. |
| first_indexed | 2024-03-06T18:35:27Z |
| format | Journal article |
| id | oxford-uuid:0b0f1c8f-14bd-4ad4-ab96-e4b118d5b58c |
| institution | University of Oxford |
| language | English |
| last_indexed | 2024-03-06T18:35:27Z |
| publishDate | 2000 |
| publisher | American Inst of Physics |
| record_format | dspace |
| spelling | oxford-uuid:0b0f1c8f-14bd-4ad4-ab96-e4b118d5b58c2022-03-26T09:27:26ZHydrolysis of the amorphous silica surface. II. Calculation of activation barriers and mechanismsJournal articlehttp://purl.org/coar/resource_type/c_dcae04bcuuid:0b0f1c8f-14bd-4ad4-ab96-e4b118d5b58cEnglishSymplectic Elements at OxfordAmerican Inst of Physics2000Walsh, TWilson, MSutton, AThe dry, amorphous, hydrophilic SiO2 surface is analyzed using cluster models. The reactivity of generic defect sites on the surface is analyzed with respect to water. The local network rearrangement that accompanies hydrolysis at these sites are studied. |
| spellingShingle | Walsh, T Wilson, M Sutton, A Hydrolysis of the amorphous silica surface. II. Calculation of activation barriers and mechanisms |
| title | Hydrolysis of the amorphous silica surface. II. Calculation of activation barriers and mechanisms |
| title_full | Hydrolysis of the amorphous silica surface. II. Calculation of activation barriers and mechanisms |
| title_fullStr | Hydrolysis of the amorphous silica surface. II. Calculation of activation barriers and mechanisms |
| title_full_unstemmed | Hydrolysis of the amorphous silica surface. II. Calculation of activation barriers and mechanisms |
| title_short | Hydrolysis of the amorphous silica surface. II. Calculation of activation barriers and mechanisms |
| title_sort | hydrolysis of the amorphous silica surface ii calculation of activation barriers and mechanisms |
| work_keys_str_mv | AT walsht hydrolysisoftheamorphoussilicasurfaceiicalculationofactivationbarriersandmechanisms AT wilsonm hydrolysisoftheamorphoussilicasurfaceiicalculationofactivationbarriersandmechanisms AT suttona hydrolysisoftheamorphoussilicasurfaceiicalculationofactivationbarriersandmechanisms |