Theoretical study of CO2 adsorption on Pt

Shofu Matsuda; Tsuyoshi Mukai; Seishiro Sakurada; Nozomu Uchida; Minoru Umeda

doi:10.1039/C9NJ03092A

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Theoretical study of CO₂ adsorption on Pt†

Shofu Matsuda,

^a Tsuyoshi Mukai,^a Seishiro Sakurada,^a Nozomu Uchida*^a and Minoru Umeda

*^a

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* Corresponding authors

^a Department of Materials Science and Technology, Graduate School of Engineering, Nagaoka University of Technology, 1603-1 Kamitomioka, Nagaoka, Niigata 940-2188, Japan
E-mail: mumeda@vos.nagaokaut.ac.jp, solgel2@vos.nagaokaut.ac.jp

Abstract

The process of CO₂ adsorption on a Pt electrocatalyst was investigated computationally. We found that CO₂ adsorption on Pt crystals proceeds spontaneously in the presence of H₂O and H both adsorbed on Pt, attributed to hydrogen bond formation and charge rearrangement interactions.

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Article information

DOI: https://doi.org/10.1039/C9NJ03092A
Article type: Letter
Submitted: 14 Jun 2019
Accepted: 06 Aug 2019
First published: 07 Aug 2019

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New J. Chem., 2019,43, 13717-13720

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Theoretical study of CO₂ adsorption on Pt

S. Matsuda, T. Mukai, S. Sakurada, N. Uchida and M. Umeda, New J. Chem., 2019, 43, 13717 DOI: 10.1039/C9NJ03092A

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