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|Title:||Formic acid decomposition on clean and pre-adsorbed (O,C and N) surface of Cu (100) catalyst||Authors:||Zhang, Shurui||Keywords:||DRNTU::Engineering::Chemical engineering::Industrial electrochemistry||Issue Date:||2009||Abstract:||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 showed that on both clean and pre-adsorbed surfaces, release of H from H2CO, through the formation of H2COO and HCOO, was the most feasible pathway in terms of reaction energy.||URI:||http://hdl.handle.net/10356/16442||Rights:||Nanyang Technological University||Fulltext Permission:||restricted||Fulltext Availability:||With Fulltext|
|Appears in Collections:||SCBE Student Reports (FYP/IA/PA/PI)|
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