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
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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