Density functional studies relevant to methanol steam reforming

• 主要作者: Li, Xiang
• 其他作者: Lim Kok Hwa
• 格式: Theses and Dissertations
• 語言: English
• 出版: 2013
• 主題: DRNTU::Engineering::Chemical engineering
• 在線閱讀: http://hdl.handle.net/10356/51256
• 機構: Nanyang Technological University

In this study, methanol steam reforming (MSR) on different catalytic surfaces (Cu, PdZn, Ir, Pd and Pt) have been systematically studied by density functional methods. The adsorption studies of relevant species for MSR indicate that adsorptions on Ir (100) surface are the most stable compared to the...