AI Article Synopsis
- The study predicts that graphene nanoribbons will bend when a strong perpendicular field is applied.
- The applied field causes a mixing of σ and π orbitals due to the second-order Stark effect.
- This mixing significantly affects the electron-nuclear interactions, leading to a preference for a bent structure in the nanoribbons.
Article Abstract
Herein, we predict that graphene nanoribbons will be nonplanar under the influence of a critical perpendicular field. Our investigation demonstrates that the perpendicular field induces mixing of σ and π orbitals in graphene nanoribbons through the second order Stark effect which eventually modulates the electron-nuclear interaction strongly in favor of a bent structure.
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| http://dx.doi.org/10.1039/c2cp24015g | DOI Listing |
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