Theoretical investigations on one- and two-photon absorptions for a series of covalently functionalized hybrid materials based on grapheneElectronic supplementary information (ESI) available: OPA properties of the studied molecule calculated by the time-dependent DFT method and ZINDO method, contour surfaces of the frontier orbitals relevant to the OPA and TPA processes, the relationships of log δmax and log X, and the relationships between δmax and the impact factors. See DOI: 10.1039/c4nj00946

Theoretical investigations on one- and two-photon absorptions for a series of covalently functionalized hybrid materials based on grapheneElectronic supplementary information (ESI) available: OPA properties of the studied molecule calculated by the time-dependent DFT method and ZINDO method, contour surfaces of the frontier orbitals relevant to the OPA and TPA processes, the relationships of log δmax and log X, and the relationships between δmax and the impact factors. See DOI: 10.1039/c4nj00946

Recently, the covalently linked porphyrin-graphene composite materials with excellent nonlinear optical (NLO) properties and solubility have been experimentally studied, but their two-photon absorption (TPA) properties have not been reported yet. In this work, a series of novel graphene-like molecul...

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Hauptverfasser: Zhang, Li, Zou, Lu-Yi, Guo, Jing-Fu, Ren, Ai-Min, Wang, Dan, Feng, Ji-Kang
Format: Artikel
Sprache:eng
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