Abstract
Planar tetracoordinate carbon (ptC) with intriguing planar bond structure has triggered great attentions. In this work, B/Be-terminated decoration form armchair hybridized boron nitride and graphene nanoribbons with ptC structure (ptC-aBCNNRs) are investigated theoretically for third-order nonlinear optical (NLO) response by employing time-dependent density functional theory combined with sum-over-states method. Our calculations reveal Be and B decorated on ptC-aBCNNRs would result in opposite variation of energy gaps, and strongly enhance the NLO response in different third-order NLO processes. The strong third-order NLO response predicted for ptC-aBCNNRs is originated from the charge redistribution induced by ptC structure and hexagonal-BN ribbon insertion.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
