Theoretical investigation on two-dimensional molecule-based second-order nonlinear optical materials of the disubstituted o-carborane derivatives

Article ID	Journal	Published Year	Pages	File Type
5394589	Computational and Theoretical Chemistry	2012	8 Pages	PDF

Abstract

âº The NLO response is dominated by Î²zzz and Î²zyy components. âº The y-polarized transition contributed to the Î²zyy. âº The z-polarized transition accounted for Î²zzz. âº The Î¼ value demonstrates the 2D second-order NLO properties.

Keywords

DFT Charge transfer

Related Topics

Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry

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Theoretical investigation on two-dimensional molecule-based second-order nonlinear optical materials of the disubstituted o-carborane derivatives

Authors

Yan Liu, Guochun Yang, Shiling Sun, Zhongmin Su,