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Chemical Research in Chinese Universities ›› 2011, Vol. 27 ›› Issue (3): 512-515.

• Articles • Previous Articles     Next Articles

Lithium Salt of NH2-substituted Graphene Nanoribbon with Twofold Donor-acceptor Framework: Large Nonlinear Optical Property

ZHOU Zhong-jun, LI Zhi-ru*, HUANG Xu-ri* and SUN Chia-chung   

  1. State Key Laboratory of Theoretical and Computational Chemistry, Institute of Theoretical Chemistry, Jilin University, Changchun 130023, P. R. China
  • Received:2010-12-13 Revised:2011-01-10 Online:2011-05-25 Published:2011-04-29
  • Contact: LI Zhi-ru*, HUANG Xu-ri E-mail:lzr@jlu.edu.cn; xurihuang@gmail.com
  • Supported by:

    Supported by the National Natural Science Foundation of China(Nos.20773046, 20773048 and 21073075).

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Abstract: Based on graphene, a new class of second-order nonlinear optical(NLO) material, the lithium salt of NH2-substituted graphene nanoribbon with the twofold donor(D)/acceptor(A) mode, was reported. Eight stable 2Li-2NH2-GNR lithium salts, especially cis lithium salts, display considerably large β0 values. The combination of NH2-substituting and cis Li-doping makes β0 greatly increased from 0(GNR) to 1.2×105―2.9×105 a.u.(cis-2Li- 2NH2-GNRs). Our largest β0 value(2.9×105 a.u.) for cis-2Li-1,3-2NH2-AGNR is comparable to the record value of 1.7×105 a.u. for a long donor-acceptor polyene.

Key words: First hyperpolarizability, Nonlinear optical material, Twofold donor-acceptor mode