We found a match
Your institution may have rights to this item. Sign in to continue.
- Title
Electronic properties and nonlinear optical responses of boron/nitrogen-doped zigzag graphene nanoribbons.
- Authors
Hu, Yang-Yang; Li, Wei-Qi; Yang, Li; Feng, Ji-Kang; Tian, Wei Quan
- Abstract
The electronic properties and second-order nonlinear optical (NLO) responses of B/N-doped zigzag graphene nanoribbon (ZGNR) have been investigated using quantum chemistry methods. The electron-deficient B atoms prefer to form π-conjugation with the C atoms nearby along the B-doped zigzag edge. On the other hand, the electron-rich N atoms with radical characteristics weaken the conjugated bonding effects in the N-doped ZGNR. The NLO response of the ZGNR is enhanced by doping only one zigzag edge with B or N atoms. The conjugated B-doped zigzag edge takes the role of electron donor, while the N-doped zigzag edge serves as electron acceptor, giving rise to the discordant impact on the second-order NLO response of the BN-doped ZGNR.
- Subjects
GRAPHENE; TWO-dimensional materials (Nanotechnology); POLYCYCLIC aromatic hydrocarbons; NANOBELTS; NANORIBBONS; NANOSTRUCTURED materials
- Publication
Canadian Journal of Chemistry, 2016, Vol 94, Issue 7, p620
- ISSN
0008-4042
- Publication type
Article
- DOI
10.1139/cjc-2016-0037