Theoretical Study on the Oxidation of HCOOH on Pt Catalyst

DOI

10.2991/wartia-18.2018.10How to use a DOI?

Keywords

Pt Catalyst, Oxidation of HCOOH, Theoretical

Abstract

New pathway for HCOOH decomposition to CO in the gas-phase on Pt(111) surface is proposed. By performing density functional theory calculations, this paper has evaluated the detailed reaction process, including energies and geometric structures of intermediates and transition states. The present theoretical calculation results show that the formation of CO on Pt(111) surface arises from HCOOH dehydration pathway. The present theoretical study rationalizes the early experimental findings well and provides insights into the deactivation problem of Pt catalyst in the process of HCOOH oxidation.

Copyright

© 2018, the Authors. Published by Atlantis Press.

Open Access

This is an open access article distributed under the CC BY-NC license (http://creativecommons.org/licenses/by-nc/4.0/).

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TY  - CONF
AU  - Yingying Wang
AU  - Chengkuan Qin
AU  - Lili Zhang
PY  - 2018/09
DA  - 2018/09
TI  - Theoretical Study on the Oxidation of HCOOH on Pt Catalyst
BT  - Proceedings of the 4th Workshop on Advanced Research and Technology in Industry (WARTIA 2018)
PB  - Atlantis Press
SP  - 46
EP  - 50
SN  - 2352-5401
UR  - https://doi.org/10.2991/wartia-18.2018.10
DO  - 10.2991/wartia-18.2018.10
ID  - Wang2018/09
ER  -