Giant nonlinear optical response of fullerene polymer fragments: a DFT perspective
Xuechao Cheng,
Haipeng Li,
Ruipeng Wang
et al.
Abstract:Organic π-conjugated materials exhibit exceptional nonlinear optical (NLO) properties due to their unique electronic structures, characterized by short response times and large NLO responses. Fullerene (C60) is one of the few polymer species that possess a rich π-conjugated system, making it a promising material with significant NLO responses. In the present paper, we designed three C60 polymer fragments and employed density functional theory to estimate their molecular static first and second hyperpolarizabil… Show more
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