Abstract
Impressive charge-carrier mobilities have been measured over the past few years for a number of well-oriented π-conjugated polymer chains. Intriguingly, these polymers frequently have complex chemical structures consisting of repeat units with alternating electron-rich and electron-poor moieties. A priori, such structures do not lend themselves to the presence of strongly dispersive valence or conduction electronic bands, which are required to achieve small charge-carrier effective masses. Here, the factors that can lead to high carrier mobilities in the tens or even hundreds of square centimeter per volt per second are described briefly.
| Original language | English |
|---|---|
| Article number | 1800016 |
| Journal | Advanced Theory and Simulations |
| Volume | 1 |
| Issue number | 7 |
| DOIs | |
| State | Published - 1 Jul 2018 |
Keywords
- density functional theory (DFT)
- high charge-carrier mobilities
- π-conjugated polymer chains
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