• 主题
高级搜索  >
历史搜索 清空历史
首页> 外文期刊>Advanced Functional Materials >Depolarization Effects in Self-Assembled Monolayers: A Quantum-Chemical Insight
【24h】

Depolarization Effects in Self-Assembled Monolayers: A Quantum-Chemical Insight

机译：自组装单层中的去极化效应：量子化学的见解。

获取原文
获取原文并翻译 | 示例
           
页面导航
  • 摘要
  • 著录项
  • 相似文献
  • 相关主题

摘要

Many recent experimental studies have demonstrated that the deposition of a self-assembled monolayer (SAM) made of polar molecules on a metal surface can significantly modulate its work function and hence the barrier for hole and electron injection in optoelectronic devices. The permanent dipole moment associated with the backbone of the molecules plays a key role in defining the amplitude and direction of the work-function shift. We illustrate here via quantum-chemical calculations performed on model systems that the dipole moment of molecules is significantly reduced going from the isolated state to the SAM. Such depolarization effects that are most often neglected thus reduce the work-function shift and have to be taken in account to control and understand charge-injection barriers in devices at a quantitative level.
机译：最近的许多实验研究表明，由极性分子制成的自组装单分子层（SAM）在金属表面上的沉积可显着调节其功函数，从而调节光电器件中空穴和电子注入的势垒。与分子主链相关的永久偶极矩在定义功函数位移的幅度和方向方面起着关键作用。我们在这里通过在模型系统上执行的量子化学计算来说明，从隔离状态到SAM，分子的偶极矩显着降低。这种最常被忽略的去极化效应因此减少了功函数的偏移，并且必须考虑到在定量水平上控制和理解器件中的电荷注入势垒。

著录项

相似文献

  • 外文文献
  • 中文文献
  • 专利
获取原文

客服邮箱：kefu@zhangqiaokeyan.com

京公网安备：11010802029741号 ICP备案号：京ICP备15016152号-6 六维联合信息科技 (北京) 有限公司©版权所有

  • 客服微信

  • 服务号