Structure and chemistry of graphene oxide in liquid water from first principles
Graphene oxide holds great promise for water purification applications, though its chemical reactivity in water is yet to be clarified. Here the authors show by first principles molecular dynamics that graphene oxide structures with correlated functional groups and regions of pristine graphene are t...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
Nature Publishing Group
2020-03-01
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| Series: | Nature Communications |
| Online Access: | https://doi.org/10.1038/s41467-020-15381-y |
| Summary: | Graphene oxide holds great promise for water purification applications, though its chemical reactivity in water is yet to be clarified. Here the authors show by first principles molecular dynamics that graphene oxide structures with correlated functional groups and regions of pristine graphene are the most stable in liquid water. |
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| ISSN: | 2041-1723 |