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Signatures in vibrational and UV-visible absorption spectra for identifying cyclic hydrocarbons by graphene fragments

Meng, Yan ; Wu, Qi ; Chen, Lei ; Wangmo, Sonam ; Gao, Yang ; Wang, Zhigang ; Zhang, Rui-Qin ; Ding, Dajun ; Niehaus, Thomas A. ; Frauenheim, Thomas



Abstract

To promote possible applications of graphene in molecular identification based on stacking effects, in particular in recognizing aromatic amino acids and even sequencing nucleobases in life sciences, we comprehensively study the interaction between graphene segments and different cyclic organic hydrocarbons including benzene (C6H6), cyclohexane (C6H12), benzyne (C6H4), cyclohexene (C6H10), ...

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