The Influence of Hydroxyl Groups on Friction of Graphene at Atomic Scale
Hydroxyl groups play an important role in friction of graphene oxides. In this paper, the influence of hydroxyl groups on friction of graphene is investigated by molecular dynamics simulation. The results show that the friction does not always go up with the rising of hydroxyl groups ratio, and reac...
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| Format: | Article |
| Language: | English |
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MDPI AG
2018-04-01
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| Series: | Crystals |
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| Online Access: | http://www.mdpi.com/2073-4352/8/4/167 |
| _version_ | 1811184378998423552 |
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| author | Rui Li Chenggang Song |
| author_facet | Rui Li Chenggang Song |
| author_sort | Rui Li |
| collection | DOAJ |
| description | Hydroxyl groups play an important role in friction of graphene oxides. In this paper, the influence of hydroxyl groups on friction of graphene is investigated by molecular dynamics simulation. The results show that the friction does not always go up with the rising of hydroxyl groups ratio, and reaches the maximum when the hydroxyl groups ratio between interfaces is about 10%. The reason is that hydrogen bonds tend to form in interlayers when the hydroxyl groups ratio is high. The formed hydrogen bonds between interfaces are closely related to the friction. However, the analysis of the component of van der Waals, Coulomb’s forces and hydrogen bonds interaction between interfaces indicates that van der Waals forces are dominant in friction, which can be attributed to the influence of interface distance on friction. |
| first_indexed | 2024-04-11T13:11:16Z |
| format | Article |
| id | doaj.art-23472e1cef9a442db144322106f57954 |
| institution | Directory Open Access Journal |
| issn | 2073-4352 |
| language | English |
| last_indexed | 2024-04-11T13:11:16Z |
| publishDate | 2018-04-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Crystals |
| spelling | doaj.art-23472e1cef9a442db144322106f579542022-12-22T04:22:34ZengMDPI AGCrystals2073-43522018-04-018416710.3390/cryst8040167cryst8040167The Influence of Hydroxyl Groups on Friction of Graphene at Atomic ScaleRui Li0Chenggang Song1School of Mechanical Engineering, University of Science and Technology Beijing, Beijing 100083, ChinaSchool of Mechanical Engineering, University of Science and Technology Beijing, Beijing 100083, ChinaHydroxyl groups play an important role in friction of graphene oxides. In this paper, the influence of hydroxyl groups on friction of graphene is investigated by molecular dynamics simulation. The results show that the friction does not always go up with the rising of hydroxyl groups ratio, and reaches the maximum when the hydroxyl groups ratio between interfaces is about 10%. The reason is that hydrogen bonds tend to form in interlayers when the hydroxyl groups ratio is high. The formed hydrogen bonds between interfaces are closely related to the friction. However, the analysis of the component of van der Waals, Coulomb’s forces and hydrogen bonds interaction between interfaces indicates that van der Waals forces are dominant in friction, which can be attributed to the influence of interface distance on friction.http://www.mdpi.com/2073-4352/8/4/167graphenefriction at atomic scalehydroxyl groups |
| spellingShingle | Rui Li Chenggang Song The Influence of Hydroxyl Groups on Friction of Graphene at Atomic Scale Crystals graphene friction at atomic scale hydroxyl groups |
| title | The Influence of Hydroxyl Groups on Friction of Graphene at Atomic Scale |
| title_full | The Influence of Hydroxyl Groups on Friction of Graphene at Atomic Scale |
| title_fullStr | The Influence of Hydroxyl Groups on Friction of Graphene at Atomic Scale |
| title_full_unstemmed | The Influence of Hydroxyl Groups on Friction of Graphene at Atomic Scale |
| title_short | The Influence of Hydroxyl Groups on Friction of Graphene at Atomic Scale |
| title_sort | influence of hydroxyl groups on friction of graphene at atomic scale |
| topic | graphene friction at atomic scale hydroxyl groups |
| url | http://www.mdpi.com/2073-4352/8/4/167 |
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