期刊
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
卷 110, 期 41, 页码 16315-16320出版社
NATL ACAD SCIENCES
DOI: 10.1073/pnas.1307158110
关键词
organic electronics; charge mobility; computational model
资金
- Center for Advanced Molecular Photovoltaics Award [KUS-C1-015-21]
- National Science Foundation
- School of Engineering at Stanford University
Existing models for the electronic properties of conjugated polymers do not capture the spatial arrangement of the disordered macromolecular chains over which charge transport occurs. Here, we present an analytical and computational description in which the morphology of individual polymer chains is dictated by well-known statistical models and the electronic coupling between units is determined using Marcus theory. The multiscale transport of charges in these materials (high mobility at short length scales, low mobility at long length scales) is naturally described with our framework. Additionally, the dependence of mobility with electric field and temperature is explained in terms of conformational variability and spatial correlation. Our model offers a predictive approach to connecting processing conditions with transport behavior.
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