Excitons of edge and surface functionalized graphene nanoribbons

• Main Authors: Zhu, Xi, Su, Haibin
• Other Authors: School of Materials Science & Engineering
• Format: Article
• Language: English
• Published: 2011
• Subjects: DRNTU::Engineering::Materials::Photonics and optoelectronics materials
• Online Access: https://hdl.handle.net/10356/93697; http://hdl.handle.net/10220/7428
• Institution: Nanyang Technological University

We apply density functional theory to study the optical properties of armchair graphene nanoribbons (AGNRs) functionalized from both edge and surface employing quasiparticle corrections and many body, that is, electron−hole, interactions. The variation in band gaps is scrutinized in terms of bonding...