论文标题
在碱性条件下，CO在CU单晶上的电化学氧化
Electrochemical oxidation of CO on Cu single crystals under alkaline conditions
论文作者
论文摘要
我们对CO在碱性条件下CO的电化学氧化进行联合实验理论研究。使用Cu单晶表面上的环状伏安法，我们证明了Cu梯田和步骤在热力学平衡电位的电位上都显示出略有正（0.03-0.14 V）的CO氧化活性。超电势比黄金（约0.26 V）低0.23-0.12 V，到目前为止，该电势已被认为是该过程中最活跃的催化剂。我们的理论计算表明，Cu的活性是由同时 *OH吸附在CO氧化潜力和可克服的 *CO- *OH耦合屏障的有利组合引起的。实验观察到的发作电位与 *OH吸附的计算出的ons集相一致。我们此外表明，由于竞争性的吸附更强， *OH上的吸附在步骤上的吸附比在露台上更受 *oh相互作用的影响。总体而言，CU（100）显示了所考虑的小平面的最低电势（0.03 V）。
We perform a joint experimental-theoretical study of the electrochemical oxidation of CO on copper (Cu) under alkaline conditions. Using cyclic voltammetry on Cu single crystal surfaces, we demonstrate that both Cu terraces and steps show CO oxidation activity at potentials just slightly positive (0.03-0.14 V) of the thermodynamic equilibrium potential. The overpotentials are 0.23-0.12 V lower than that of gold (approx. 0.26 V), which up until now has been considered to be the most active catalyst for this process. Our theoretical calculations suggest that Cu's activity arises from the advantageous combination of simultaneous *OH adsorption under CO oxidation potentials and surmountable *CO-*OH coupling barriers. Experimentally observed onset potentials are in agreement with the computed onsets of *OH adsorption. We furthermore show that the onsets of *OH adsorption on steps are more affected by *CO-*OH interactions than on terraces due to a stronger competitive adsorption. Overall, Cu(100) shows the lowest overpotential (0.03 V) of the facets considered.
