• 主题
高级搜索  >
历史搜索 清空历史
首页> 外文期刊>The Journal of Chemical Physics >The electric double layer at metal-water interfaces revisited based on a charge polarization scheme
【24h】

The electric double layer at metal-water interfaces revisited based on a charge polarization scheme

机译：基于电荷偏振方案重新检测金属 - 水接口的电双层

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

The description of electrode-electrolyte interfaces is based on the concept of the formation of an electric double layer. This concept was derived from continuum theories extended by introducing point charge distributions. Based on ab initio molecular dynamics simulations, we analyze the electric double layer in an approach beyond the point charge scheme by instead assessing charge polarizations at electrochemical metal-water interfaces from first principles. We show that the atomic structure of water layers at room temperature leads to an oscillatory behavior of the averaged electrostatic potential. We address the relation between the polarization distribution at the interface and the extent of the electric double layer and subsequently derive the electrode potential from the charge polarization. Published by AIP Publishing.
机译：电极电解质接口的描述基于电双层的形成概念。 这一概念来自引入点电荷分布延伸的连续性理论。 基于AB Initio分子动力学模拟，我们通过替代通过第一原理评估电化学金属 - 水界面的电荷偏振以超出点充电方案的方法。 我们表明室温下水层的原子结构导致平均静电电位的振荡行为。 我们解决了界面处的偏振分布与电双层的程度之间的关系，随后从电荷极化导出电极电位。 通过AIP发布发布。

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