On the microscopic origin of bending of graphene nanoribbons in the presence of a perpendicular electric field.
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.
Department of Chemistry, University of Calcutta, 92, A.P.C. Road, Kolkata 700 009, India.
Mausumi
M
Chattopadhyaya
Md Mehboob
MM
Alam
Swapan
S
Chakrabarti