期刊
MATERIALS HORIZONS
卷 7, 期 11, 页码 2922-2928出版社
ROYAL SOC CHEMISTRY
DOI: 10.1039/d0mh01159b
关键词
-
资金
- ERC-PoC grant [403098]
- EPSRC [EP/N021754/2, EP/T005017/1] Funding Source: UKRI
The dynamic disorder is known to be one of the crucial parameters limiting the charge carrier transport in molecular semiconductors and a parameter that cannot be easily controlled through known design rules. To identify much needed guiding principles we evaluate the dependence of dynamic disorder on a large number of molecular and crystal characteristics for a set of almost five thousand known molecular semiconductors. We find that the strength of dynamic disorder is highly correlated with the gradient of the transfer integral, a property easily computable for any molecular orientation. We also show that orientations of molecular pairs with just a few atoms in contact are more likely to yield low dynamic disorder. This observation is highly counterintuitive as for years the focus has been to maximize the number of pi-stacked atoms. Other properties with meaningful influence on the dynamic disorder include the presence of alkyl chains, the strength of the transfer integral and the presence of heavy atoms. The findings of this work provide important design principles for low-disorder high-mobility molecular semiconductors.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据