化学吸附
氢
电催化剂
密度泛函理论
电流(流体)
化学
交换电流密度
吸附
动能
化学物理
电化学
原子物理学
热力学
物理化学
计算化学
物理
电极
塔菲尔方程
有机化学
量子力学
作者
Jens K. Nørskov,Thomas Bligaard,Á. Logadóttir,John R. Kitchin,J.G. Chen,Stanislav Pandelov,Ulrich Stimming
出处
期刊:Journal of The Electrochemical Society
[The Electrochemical Society]
日期:2005-01-01
卷期号:152 (3): J23-J23
被引量:4530
摘要
A density functional theory database of hydrogen chemisorption energies on close packed surfaces of a number of transition and noble metals is presented. The bond energies are used to understand the trends in the exchange current for hydrogen evolution. A volcano curve is obtained when measured exchange currents are plotted as a function of the calculated hydrogen adsorption energies and a simple kinetic model is developed to understand the origin of the volcano. The volcano curve is also consistent with Pt being the most efficient electrocatalyst for hydrogen evolution. © 2005 The Electrochemical Society. All rights reserved.
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