2011年1月，我室理论与计算科学研究部杨金龙教授和原子分子科学研究黄伟新教授研究组合作在JOURNAL OF CATALYSIS上发表题为Hydroxyls-induced oxygen activation on "inert" Au nanoparticles for low-temperature CO oxidation的论文。

Source: JOURNAL OF CATALYSIS Volume: 277 Issue: 1 Pages: 95-103 Published: JAN 3 2011

Qian K (Qian, Kun)1,2,3, Zhang WH (Zhang, Wenhua)2,4, Sun HX (Sun, Huaxing)1, Fang J (Fang, Jun)1,2,3, He B (He, Bo)5, Ma YS (Ma, Yunsheng)1, Jiang ZQ (Jiang, Zhiquan)3, Wei SQ (Wei, Shiqiang)5, Yang JL (Yang, Jinlong)1,3, Huang WX (Huang, Weixin)1,2,3
Addresses:
1. Univ Sci & Technol China, Dept Chem Phys, Hefei 230026, Peoples R China
2. Univ Sci & Technol China, CAS Key Lab Mat Energy Convers, Hefei 230026, Peoples R China
3. Univ Sci & Technol China, Hefei Natl Lab Phys Sci Microscale, Hefei 230026, Peoples R China
4. Univ Sci & Technol China, Dept Mat Sci & Engn, Hefei 230026, Peoples R China
5. Univ Sci & Technol China, Natl Synchrotron Radiat Lab, Hefei 230029, Peoples R China
E-mail Addresses: jlyang@ustc.edu.cn, huangwx@ustc.edu.cn

Reprint Address: Yang, JL (reprint author), Univ Sci & Technol China, Dept Chem Phys, Jinzhai Rd 96, Hefei 230026, Peoples R China

Abstract:
The NaOH additive substantially enhances the catalytic activity of Au/SiO2 catalyst inert in catalyzing CO oxidation at temperatures below 150 degrees C, and Au/NaOH/SiO2 catalyst with a NaOH:Au atomic ratio of 6 is active at room temperature. Both the particle size distribution and the electronic structure of Au nanoparticles were found to be similar in Au/SiO2 and Au/NaOH/SiO2 catalysts, unambiguously proving that hydroxyls on "inert" Au nanoparticles can induce the activation of O-2 for CO oxidation at room temperature. The accompanying density functional theory (DFT) calculation results reveal the determining role of COOH(a) in hydroxyls-induced activation of O-2 on the Au(1 1 1) surface. Our results successfully elucidate the influence of hydroxyls on the intrinsic activity of Au nanoparticles in CO oxidation, providing novel insights into the role of hydroxyls in the catalytic activity of Au catalysts and advancing the fundamental understanding of oxidation reactions catalyzed by Au catalysts. (C) 2010 Elsevier Inc. All rights reserved.