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August 15, 2026The Journal of Physical Chemistry C

Long-Lived Interfacial Charge Separation in PyrenylimidazolylPhthalocyanine@Transition Metal Dichalchogenide Heterostructures

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Authors

EMElena A. MackSGSara R.D. GamelasATAugusto C. Tomé

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Overview

Spectroscopic analysis demonstrates ultrafast interfacial charge separation in phthalocyanine-dichalcogenide heterostructures, highlighting molecular design rules for mixed-dimensional...

Key Points

  • Investigate how π-extended pyrenylimidazolyl anchoring groups and metalation in phthalocyanines modulate ground- and excited-state interfacial charge transfer with liquid-phase exfoliated transition-metal dichalcogenides.
  • Synthesized and optically characterized three pyrenylimidazolyl-functionalized phthalocyanines, comprising free-base H2Pc 4 and zinc complexes ZnPc 5 and ZnPc 6.
  • Conducted steady-state optical titrations with liquid-phase exfoliated s-WS2 and s-MoS2 nanosheets to measure electronic coupling.
  • Examined excited-state interfacial charge-separated state dynamics and decay kinetics using femtosecond transient absorption spectroscopy in the short-wave infrared region.
  • Steady-state titrations demonstrated strong ground-state electronic coupling characterized by clean isosbestic behavior and the emergence of an interfacial Q-band at approximately 720 nm.
  • Femtosecond transient absorption confirmed ultrafast formation of interfacial charge-separated states with multiphasic decay kinetics dictated by phthalocyanine orbital alignment with semiconductor band structures.
  • Pyrenylimidazolyl anchoring groups enhanced nanosheet immobilization and promoted singlet-to-triplet spin-conversion through rigid core linkages and intramolecular charge transfer.

Cite This Study

Mack et al. (2026) studied this question.

synapsesocial.com/papers/6a8019a975c2e31742c85bb4https://doi.org/10.1021/acs.jpcc.6c03898
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