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

• المؤلف الرئيسي: Zhang, Shurui
• مؤلفون آخرون: Lim Kok Hwa
• التنسيق: Final Year Project
• اللغة: English
• منشور في: 2009
• الموضوعات: DRNTU::Engineering::Chemical engineering::Industrial electrochemistry
• الوصول للمادة أونلاين: http://hdl.handle.net/10356/16442

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...