title: Exceptionally large second-order nonlinear optical response in donor-graphene nanoribbon-acceptor systems.
abstract: Graphene nanoribbon (GNR) has been used, for the first time, as an excellent conjugated bridge in a donor-conjugated bridge-acceptor (D-B-A) framework to design high-performance second-order nonlinear optical materials. Owing to the unique diradical planar conjugated bridge of GNR, D(NH(2))-GNR-A(NO(2)) exhibits exceptionally large static first hyperpolarizability (β(0)) up to 2.5×10(6) a.u. (22000×10(-30) esu) for H(2)N-(7,3)ZGNR-NO(2) (ZGNR=zigzag-edged GNR), which is about 15 times larger than the recorded value of β(0) (1470×10(-30) esu) for the D-A polyene reported by Blanchard-Desce et al. [Chem. Eur. J. 1997, 3, 1091]. Interestingly, we have found that the size effect of GNR plays a key role in increasing β(0) for the H(2)N-GNR-NO(2) system, in which the width effect of GNR perpendicular to the D-A direction is superior to the length effect along the D-A direction.
authors.affiliation: State Key Laboratory of Theoretical and Computational Chemistry, Institute of Theoretical Chemistry, Jilin University, Changchun, 130023, P.R. China.
authors.forename: Zhong-Jun
authors.initials: ZJ
authors.lastname: Zhou
authors.forename: Xiao-Ping
authors.initials: XP
authors.lastname: Li
authors.forename: Fang
authors.initials: F
authors.lastname: Ma
authors.forename: Zhen-Bo
authors.initials: ZB
authors.lastname: Liu
authors.forename: Zhi-Ru
authors.initials: ZR
authors.lastname: Li
authors.forename: Xu-Ri
authors.initials: XR
authors.lastname: Huang
authors.forename: Chia-Chung
authors.initials: CC
authors.lastname: Sun