Mechanism of Oxalic Acid Formation from Acetylene on Pt (111) Surface: A DFT Investigation

The mechanism of electrochemical synthesis of oxalic acid from acetylene on Pt (111) surface has been comprehensively investigated using first-principles method based on density functional theory (DFT). The calculation results show that CHCH firstly react with OH to form CHCHOH, then, the product ta...

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Detalhes bibliográficos

Principais autores:	Mengting Gao, Huimin Yang, Minmin Guo, Wenyan Dong, Zhenhai Liang, Peide Han
Formato:	Artigo
Idioma:	Inglês
Publicado em:	Elsevier 2019-01-01
coleção:	International Journal of Electrochemical Science
Assuntos:	Pt (111) surface acetylene oxalic acid mechanism density functional theory
Acesso em linha:	http://www.sciencedirect.com/science/article/pii/S1452398123009033
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