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DFT‐optimised structures of model compounds. a) Short [10,10]‐capped SWNT; b) zinc(II)‐centred porphyrin molecule; c) porphyrin molecule bound supramolecularly onto the tip of a [10,10]‐capped SWNT (configuration A); d) porphyrin molecule bound supramolecularly onto the middle part of a [10,10]‐capped SWNT (configuration B). Black carbon, red oxygen, blue nitrogen, yellow sulfur, white hydrogen, zinc grey.
