Benzo‐bisimidazole based nanosheets having porphyrin like internal core with high second order nonlinear optical response: A theoretical perspective
Rajneesh Kumar,
Ajeet Singh
Abstract:The 2D network having porphyrin like internal core are well established in literature due to their remarkable molecular tunability, photophysical and optoelectronics properties. Therefore, in the quest to attain the high performance nonlinear optical (NLO) response we have designed single Benzo‐bisimidazole (BIZ) unit which has porphyrin like motif and expanded it strategically in such a way that it forms cage and further it convert into 2D nanosheet. Density functional theory (DFT), sum‐over‐state models and … Show more
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