双金属片
催化作用
吸附
铜
密度泛函理论
化学
法拉第效率
无机化学
可逆氢电极
选择性
电催化剂
水溶液
氧化物
俄歇电子能谱
电化学
材料科学
物理化学
有机化学
电极
计算化学
工作电极
物理
核物理学
生物化学
作者
Saad Sarfraz,Angel T. Garcia‐Esparza,Abdesslem Jedidi,Luigi Cavallo,Kazuhiro Takanabe
出处
期刊:ACS Catalysis
[American Chemical Society]
日期:2016-03-23
卷期号:6 (5): 2842-2851
被引量:441
标识
DOI:10.1021/acscatal.6b00269
摘要
We report a selective and stable electrocatalyst utilizing non-noble metals consisting of Cu and Sn for the efficient and selective reduction of CO2 to CO over a wide potential range. The bimetallic electrode was prepared through the electrodeposition of Sn species on the surface of oxide-derived copper (OD-Cu). The Cu surface, when decorated with an optimal amount of Sn, resulted in a Faradaic efficiency (FE) for CO greater than 90% and a current density of −1.0 mA cm–2 at −0.6 V vs RHE, compared to the CO FE of 63% and −2.1 mA cm–2 for OD-Cu. Excess Sn on the surface caused H2 evolution with a decreased current density. X-ray diffraction (XRD) suggests the formation of Cu–Sn alloy. Auger electron spectroscopy of the sample surface exhibits zerovalent Cu and Sn after the electrodeposition step. Density functional theory (DFT) calculations show that replacing a single Cu atom with a Sn atom leaves the d-band orbitals mostly unperturbed, signifying no dramatic shifts in the bulk electronic structure. However, the Sn atom discomposes the multifold sites on pure Cu, disfavoring the adsorption of H and leaving the adsorption of CO relatively unperturbed. Our catalytic results along with DFT calculations indicate that the presence of Sn on reduced OD-Cu diminishes the hydrogenation capability—i.e., the selectivity toward H2 and HCOOH—while hardly affects the CO productivity. While the pristine monometallic surfaces (both Cu and Sn) fail to selectively reduce CO2, the Cu–Sn bimetallic electrocatalyst generates a surface that inhibits adsorbed H*, resulting in improved CO FE. This study presents a strategy to provide low-cost non-noble metals that can be utilized as a highly selective electrocatalyst for the efficient aqueous reduction of CO2.
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