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

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

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...

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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
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Institution: Nanyang Technological University
Language: English
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spelling sg-ntu-dr.10356-164422023-03-03T15:31:45Z Formic acid decomposition on clean and pre-adsorbed (O,C and N) surface of Cu (100) catalyst Zhang, Shurui Lim Kok Hwa School of Chemical and Biomedical Engineering DRNTU::Engineering::Chemical engineering::Industrial electrochemistry 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. Bachelor of Engineering (Chemical and Biomolecular Engineering) 2009-05-26T04:42:57Z 2009-05-26T04:42:57Z 2009 2009 Final Year Project (FYP) http://hdl.handle.net/10356/16442 en Nanyang Technological University 84 p. application/pdf
institution Nanyang Technological University
building NTU Library
continent Asia
country Singapore
Singapore
content_provider NTU Library
collection DR-NTU
language English
topic DRNTU::Engineering::Chemical engineering::Industrial electrochemistry
spellingShingle DRNTU::Engineering::Chemical engineering::Industrial electrochemistry
Zhang, Shurui
Formic acid decomposition on clean and pre-adsorbed (O,C and N) surface of Cu (100) catalyst
description 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.
author2 Lim Kok Hwa
author_facet Lim Kok Hwa
Zhang, Shurui
format Final Year Project
author Zhang, Shurui
author_sort Zhang, Shurui
title Formic acid decomposition on clean and pre-adsorbed (O,C and N) surface of Cu (100) catalyst
title_short Formic acid decomposition on clean and pre-adsorbed (O,C and N) surface of Cu (100) catalyst
title_full Formic acid decomposition on clean and pre-adsorbed (O,C and N) surface of Cu (100) catalyst
title_fullStr Formic acid decomposition on clean and pre-adsorbed (O,C and N) surface of Cu (100) catalyst
title_full_unstemmed Formic acid decomposition on clean and pre-adsorbed (O,C and N) surface of Cu (100) catalyst
title_sort formic acid decomposition on clean and pre-adsorbed (o,c and n) surface of cu (100) catalyst
publishDate 2009
url http://hdl.handle.net/10356/16442
_version_ 1759852946136236032

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