N-doped ZnO nanosheets: towards high performance two dimensional catalysts

作者：Guo, Na; Yam, Kah Meng; Wang, Xiaolu; Zhang, Chun^*

来源：Nanotechnology, 2018, 29(10): 105707.

DOI：10.1088/1361-6528/aaa77c

• ZnO nanosheet
• 2D catalysts
• CO oxidation

Recently, catalytic activity of atomically thin two dimensional (2D) materials has attracted great interest. In this paper, via first principles calculations, we show for the first time that N-doped 2D one-atom-thick ZnO nanosheets exhibit high catalytic activity towards CO oxidation. A pristine 2D ZnO nanosheet is chemically inert and as a result, CO and O-2 molecules do not chemically bind on the nanosheet. Our calculations predict that the N doping activates the ZnO sheet, leading to strong CO and O-2 adsorptions. We further show that the CO oxidation catalyzed by the N-doped 2D ZnO sheet has a low reaction barrier around 0.5 eV. Besides high catalytic activity, the N-doped 2D ZnO sheet also demonstrates intriguing electronic and magnetic properties. These findings provide new opportunities for the future development of high performance 2D catalysts.

• 出版日期2018-3-9
• 单位贵州师范大学