Formic acid decomposition on clean and pre-adsorbed (O,C and N) surface of Cu (100) catalyst

• Main Author: Zhang, Shurui
• Other Authors: Lim Kok Hwa
• Format: Final Year Project
• Language: English
• Published: 2009
• Subjects: DRNTU::Engineering::Chemical engineering::Industrial electrochemistry
• Online Access: http://hdl.handle.net/10356/16442
• Institution: Nanyang Technological University

In this work, effect of pre-adsorbed impurities (O, C and N) on binding energies of adsorbates on Cu (100) surface was investigated using DFT method. It was found that H2COO was affected significantly at all positions of impurities. Favorability of reaction routes was also looked into, and results s...