Challenges for in silico design of organic semiconductors

被引：57

作者：

Baumeier, Bjoern ^{[1
]}

May, Falk ^{[1
]}

Lennartz, Christian ^{[2
]}

Andrienko, Denis ^{[1
]}

机构：

[1] Max Planck Inst Polymer Res, D-55128 Mainz, Germany

[2] BASF SE, D-67056 Ludwigshafen, Germany

来源：

JOURNAL OF MATERIALS CHEMISTRY | 2012年 / 22卷 / 22期

关键词：

CHARGE-TRANSPORT; ENERGY-TRANSFER; MOLECULAR-MATERIALS; ELECTROPHOSPHORESCENCE; MOBILITY; POLARIZATION; EXCITATIONS; OLIGOMERS; EFFICIENT; EMISSION;

D O I：

10.1039/c2jm30182b

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

We outline the objectives of microscopic simulations of charge and energy transport processes in amorphous organic semiconductors, describe the current status of techniques used to achieve them, and list the challenges such methods face when aiming at quantitative predictions.

引用

页码：10971 / 10976

页数：6

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