ArticleProceedings of the National Academy of Sciences of the United States of America2016
Charge transport network dynamics in molecular aggregates.
Article in Proceedings of the National Academy of Sciences of the United States of America, 2016. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 6 papers.
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Who cites it
6 citing papers in PubMed.
- Dynamics of disorder in mixed ionic-electronic transport in cross-linked non-conjugated redox polymers.Materials horizons · 2025Article
- Perpendicular crossing chains enable high mobility in a noncrystalline conjugated polymer.Proceedings of the National Academy of Sciences of the United States of America · 2024Article
- Controlling swelling in mixed transport polymers through alkyl side-chain physical cross-linking.Proceedings of the National Academy of Sciences of the United States of America · 2023Article
- Delocalised kinetic Monte Carlo for simulating delocalisation-enhanced charge and exciton transport in disordered materials.Chemical science · 2020Article
- New frontiers for the materials genome initiative.npj computational materials · 2019Article
- A map of high-mobility molecular semiconductors.Nature materials · 2017Article
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Authors and funding
3 authors.
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No grant is acknowledged in the PubMed record.
Abstract
Due to the nonperiodic nature of charge transport in disordered systems, generating insight into static charge transport networks, as well as analyzing the network dynamics, can be challenging. Here, we apply time-dependent network analysis to scrutinize the charge transport networks of two representative molecular semiconductors: a rigid n-type molecule, perylenediimide, and a flexible p-type molecule, [Formula: see text] Simulations reveal the relevant timescale for local transfer integral decorrelation to be [Formula: see text]100 fs, which is shown to be faster than that of a crystalline morphology of the same molecule. Using a simple graph metric, global network changes are observed over timescales competitive with charge carrier lifetimes. These insights demonstrate that static charge transport networks are qualitatively inadequate, whereas average networks often overestimate network connectivity. Finally, a simple methodology for tracking dynamic charge transport properties is proposed.
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