A theoretical study on the binding and electrolytic splitting of hydrogen fluoride on Ni(111) and Ni(211)-Reference-Cited by-同舟云学术

A theoretical study on the binding and electrolytic splitting of hydrogen fluoride on Ni(111) and Ni(211)

Published:2020 Issue:8 Volume:22 Page:4407-4415
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Mattsson Stefan¹²³⁴^ORCID,Paulus Beate¹²³⁴^ORCID

Affiliation:

1. Institut für Chemie und Biochemie

2. Freie Universität Berlin

3. 14195 Berlin

4. Germany

Abstract

Anhydrous hydrogen fluoride (HF) is electrochemically activated on Ni electrodes in the Simons process. We study the electrode/electrolyte interface using DFT methods and find the splitting of HF to be exothermic even at low cell potentials.

Funder

Deutsche Forschungsgemeinschaft

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2020/CP/C9CP06348J

Reference55 articles.

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