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PreprintCC BYChemRxiv

Self-Assembled 3,4,9,10-Perylenetetracarboxylic Dianhydride is a Molecular Graphite

  • Jaeyoung Lee1
  • Nuren Lara1
  • Tyler Case2
  • Carrie Donley1
  • Natalie Druffner1
  • Nathaniel Yeboah3
  • Aleksandrs Prokofjevs3
  • David Halat2
  • Megan Jackson1
  1. 1University of North Carolina at Chapel Hill
  2. 2Colorado School of Mines
  3. 3North Carolina Agricultural and Technical State University
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Abstract

Viable organic charge storage materials must display rapid cation insertion. Typically, these materials are composed of monomers that undergo slow outer-sphere electron transfer coupled to significant bond rearrangement. Here we show that 3,4,9,10-perylenetetracarboxylic dianhydride (PTCDA) self-assembles into an organic material that undergoes graphite-like cation insertion-coupled electron transfer rather than forming a radical anion or an enolate, as previously thought. This charge storage pathway is enabled by a semiconducting band structure, coincident with cation insertion between self-assembled PTCDA molecules. Based on these results, we propose that self-assembled PTCDA is best thought of as a synthetically tunable “molecular graphite” that combines the best features of molecules with the rapid insertion pathways of traditional intercalation solids.

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Cite

BibTeXRIS
BibTeX
@misc{lee2026selfassembled,
  title = {{Self-Assembled 3,4,9,10-Perylenetetracarboxylic Dianhydride is a Molecular Graphite}},
  author = {Jaeyoung Lee and Nuren Lara and Tyler Case and Carrie Donley and Natalie Druffner and Nathaniel Yeboah and Aleksandrs Prokofjevs and David Halat and Megan Jackson},
  howpublished = {ChemRxiv},
  year = {2026},
  month = oct,
  doi = {10.26434/chemrxiv-2025-7sq05/v2},
  url = {https://chemrxiv.org/doi/full/10.26434/chemrxiv-2025-7sq05/v2},
  note = {CC BY},
}
RIS
TY  - UNPB
TI  - Self-Assembled 3,4,9,10-Perylenetetracarboxylic Dianhydride is a Molecular Graphite
AU  - Jaeyoung Lee
AU  - Nuren Lara
AU  - Tyler Case
AU  - Carrie Donley
AU  - Natalie Druffner
AU  - Nathaniel Yeboah
AU  - Aleksandrs Prokofjevs
AU  - David Halat
AU  - Megan Jackson
PY  - 2026
DA  - 2026/10/02
PB  - ChemRxiv
DO  - 10.26434/chemrxiv-2025-7sq05/v2
UR  - https://chemrxiv.org/doi/full/10.26434/chemrxiv-2025-7sq05/v2
AB  - Viable organic charge storage materials must display rapid cation insertion. Typically, these materials are composed of monomers that undergo slow outer-sphere electron transfer coupled to significant bond rearrangement. Here we show that 3,4,9,10-perylenetetracarboxylic dianhydride (PTCDA) self-assembles into an organic material that undergoes graphite-like cation insertion-coupled electron transfer rather than forming a radical anion or an enolate, as previously thought. This charge storage pathway is enabled by a semiconducting band structure, coincident with cation insertion between self-assembled PTCDA molecules. Based on these results, we propose that self-assembled PTCDA is best thought of as a synthetically tunable “molecular graphite” that combines the best features of molecules with the rapid insertion pathways of traditional intercalation solids.
ER  -