Screening Nanographene‐Mediated Inter(Porphyrin) Communication to Optimize Inter(Porphyrin–Fullerene) Forces

نویسندگان

چکیده

Multifunctional molecular materials comprising porphyrins and fullerenes have served as perfect prototypes to study key aspects of natural photosynthesis starting at light harvesting energy transfer processes all the way charge separation, shift, recombination. Herein, hexa-peri-hexabenzocoronenes (HBCs) are explored, decorated with one, two, six their peripheral positions, within context replicating steps photosynthesis. The major focus investigations is screen inter(porphyrin) communications across HBC platform a function substitution pattern optimize intermolecular forces fullerenes. To this end, ground- excited-state features investigated in absence C60 C70 by employing an arsenal spectroscopic methods. Further insights into come from time-dependent density-functional theory (TDDFT) calculations. In presence C70, X-ray crystallography, steady-state time-resolved spectroscopy, mass spectrometry corroborate exceptionally strong inter(porphyrin–fullerene) interactions solid, liquid, gas phases. experiments backed-up DFT calculations geometrically optimized energetically stable complex configuration.

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ژورنال

عنوان ژورنال: Advanced Energy Materials

سال: 2021

ISSN: ['1614-6832', '1614-6840']

DOI: https://doi.org/10.1002/aenm.202100158