β-Arsenene Monolayer: A Promising Electrocatalyst for Anodic Chlorine Evolution Reaction
File version
Version of Record (VoR)
Author(s)
Hinsch, JJ
Yin, H
Liu, P
Zhao, H
Wang, Y
Griffith University Author(s)
Primary Supervisor
Other Supervisors
Editor(s)
Date
Size
File type(s)
Location
Abstract
Materials innovation plays an essential role to address the increasing demands of gaseous chlorine from anodic chlorine evolution reaction (CER) in chlor-alkali electrolysis. In this study, two-dimensional (2D) semiconducting group-VA monolayers were theoretically screened for the electrochemical CER by means of the density functional theory (DFT) method. Our results reveal the monolayered β-arsenene has the ultralow thermodynamic overpotential of 0.068 V for CER, which is close to that of the commercial Ru/Ir-based dimensionally stable anode (DSA) of 0.08 V @ 10 mA cm−2 and 0.13 V from experiments and theory, respectively. The change of CER pathways via Cl* intermediate on 2D β-arsenene also efficiently suppresses the parasitical oxygen gas production because of a high theoretical oxygen evolution reaction (OER) overpotential of 1.95 V. Our findings may therefore expand the scope of the electrocatalysts design for CER by using emerging 2D materials.
Journal Title
Catalysts
Conference Title
Book Title
Edition
Volume
12
Issue
3
Thesis Type
Degree Program
School
Publisher link
Patent number
Funder(s)
Grant identifier(s)
Rights Statement
Rights Statement
© 2022 by the authors. Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (http://creativecommons.org/licenses/by/4.0/), which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
Item Access Status
Note
Access the data
Related item(s)
Subject
Catalysis and mechanisms of reactions
Physical chemistry
Chemical engineering
Nanotechnology
Persistent link to this record
Citation
Liu, J; Hinsch, JJ; Yin, H; Liu, P; Zhao, H; Wang, Y, β-Arsenene Monolayer: A Promising Electrocatalyst for Anodic Chlorine Evolution Reaction, Catalysts, 2022, 12 (3), pp. 296