Catalytically Active Structure of Bi Deposited on a Au(111) Electrode for the Hydrogen Peroxide Reduction Reaction

详细信息    查看全文

• 作者：Masashi Nakamura ; Narumasa Sato ; Nagahiro Hoshi ; Osami Sakata
• 刊名：Langmuir
• 出版年：2010
• 出版时间：April 6, 2010
• 年：2010
• 卷：26
• 期：7
• 页码：4590-4593
• 全文大小：772K
• 年卷期：v.26,no.7(April 6, 2010)
• ISSN：1520-5827

文摘

The surface structure of underpotentially deposited Bi has been determined on Au(111) in perchloric acid solution using surface X-ray diffraction (SXD), scanning tunneling microscopy (STM), and density functional theory (DFT) calculations. SXD analysis and STM images reveal that the catalytically active structure for the hydrogen peroxide reduction reaction (HPRR) is the (2 × 2)-Bi honeycomb structure with θ_Bi = 0.50. The stability is supported by DFT calculations. The hydrated perchlorate anion is located in the center of the honeycomb structure without hydrogen peroxide. DFT calculations predict that the Bi honeycomb structure promotes the dissociation of the O−O bond of hydrogen peroxide. Hydrogen peroxide expels the hydrated perchlorate anion, and then HPRR takes place at the honeycomb center.