...
  • 主题
高级搜索  >
历史搜索 清空历史
首页> 外文期刊>Catalysis science & technology >Revisiting trends in the exchange current for hydrogen evolution
【24h】

Revisiting trends in the exchange current for hydrogen evolution

机译：回顾交流电流的趋势氢进化

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

Norskov and collaborators proposed a simple kinetic model to explain the volcano relation for the hydrogen evolution reaction on transition metal surfaces such that j(0) = k(0)f(Delta G(H)) where j(0) is the exchange current density, f(Delta G(H)) is a function of the hydrogen adsorption free energy Delta G(H) as computed from density functional theory, and k(0) is a universal rate constant. Herein, focusing on the hydrogen evolution reaction in acidic medium, we revisit the original experimental data and find that the fidelity of this kinetic model can be significantly improved by invoking metal-dependence on k(0) such that the logarithm of k(0) linearly depends on the absolute value of Delta G(H). We further confirm this relationship using additional experimental data points obtained from a critical review of the available literature. Our analyses show that the new model decreases the discrepancy between calculated and experimental exchange current density values by up to four orders of magnitude. Furthermore, we show the model can be further improved using machine learning and statistical inference methods that integrate additional material properties.
机译：Norskov和合作者提出了一个简单的动力学模型来解释火山的关系氢进化反应过渡金属表面,j k (0) (0) = f(δG (H))j(0)在哪里交流电流密度,f(δG (H))是一个函数的氢吸附自由能δG (H)计算密度泛函理论,k(0)是一个普遍的速率常数。析氢反应在酸性介质,我们重新审视原始实验数据和发现该动力学模型的保真度显著提高通过调用metal-dependence对数等k (0)k(0)线性依赖于的绝对值δG (H)。使用额外的实验数据点从评论获得可用的文学。减少计算和之间的差异实验通过交换电流密度值四个数量级。显示该模型可以进一步提高使用机器学习和统计推断集成附加材料的方法属性。

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