期刊
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
卷 113, 期 31, 页码 8595-8600出版社
NATL ACAD SCIENCES
DOI: 10.1073/pnas.1601915113
关键词
organic semiconductors; charge transport; network analysis; dynamic disorder; molecular semiconductors
资金
- US Department of Energy-Basic Energy Sciences Argonne-Northwestern Solar Energy Research Center, an Energy Frontier Research Center [DE-SC0001059]
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, bBDT(TDPP)(2). Simulations reveal the relevant timescale for local transfer integral decorrelation to be similar to 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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