Abstract
First-principles calculations were conducted on armchair graphene nanoribbons (AGNRs) to simulate the elastic behavior of AGNRs with hydrogen-terminated and bare edges. The results show width-dependent elastic properties with a periodicity of three, which depends on the nature of edge. The edge eigenstress and eigendisplacement models are able to predict the width-dependent nominal Youngs modulus and Poissons ratio, while the Clar structure explains the crucial role of edges in the periodically modulated size-dependent elastic properties.
| Original language | English |
|---|---|
| Pages (from-to) | 4883-4888 |
| Number of pages | 6 |
| Journal | Nano Letters |
| Volume | 15 |
| Issue number | 8 |
| DOIs | |
| Publication status | Published - 12 Aug 2015 |
| Externally published | Yes |
Bibliographical note
Publisher Copyright:© 2015 American Chemical Society.
Keywords
- Graphene nanoribbons
- Poissons ratio
- Youngs modulus
- size-dependent