Theoretical Study of InxRuy Alloys for Efficient Electrocatalytic Reduction of Nitrate to Ammonia

Article

Fang, Qingchao, Nasir, Md Tarikal, Wijethunge, Dimuthu, Kang, Xuxin, Han, Yun, Yan, Cheng, O'Mullane, Anthony P., Yin, Hanqing and Du, Aijun. 2024. "Theoretical Study of InxRuy Alloys for Efficient Electrocatalytic Reduction of Nitrate to Ammonia." The Journal of Physical Chemistry C: Energy Conversion and Storage, Optical and Electronic Devices, Interfaces, Nanomaterials, and Hard Matter. 129 (1), pp. 214-321. https://doi.org/10.1021/acs.jpcc.4c06598
Article Title

Theoretical Study of InxRuy Alloys for Efficient Electrocatalytic Reduction of Nitrate to Ammonia

ERA Journal ID35015
Article CategoryArticle
AuthorsFang, Qingchao, Nasir, Md Tarikal, Wijethunge, Dimuthu, Kang, Xuxin, Han, Yun, Yan, Cheng, O'Mullane, Anthony P., Yin, Hanqing and Du, Aijun
Journal TitleThe Journal of Physical Chemistry C: Energy Conversion and Storage, Optical and Electronic Devices, Interfaces, Nanomaterials, and Hard Matter
Journal Citation129 (1), pp. 214-321
Number of Pages8
Year2024
PublisherAmerican Chemical Society
Place of PublicationUnited States
ISSN1932-7447
1932-7455
Digital Object Identifier (DOI)https://doi.org/10.1021/acs.jpcc.4c06598
Web Address (URL)https://pubs.acs.org/doi/10.1021/acs.jpcc.4c06598
Abstract

The electrochemical reduction of nitrate to ammonia is considered a feasible strategy to address the imbalance of the global nitrogen cycle by eliminating N-containing pollutants in wastewater while producing ammonia in a sustainable way. In this work, we systematically investigate the reduction of nitrate to ammonia on p-block indium (In), noble metal ruthenium (Ru), and their alloys (InRu3, In3Ru). We found that pure In and Ru candidates exhibit various performances for nitrate reduction with low limiting potentials for the potential-determining step of −0.31 V and −0.14 V, respectively. However, the incorporation of In into Ru to create alloys leads to excellent activity for the reduction of nitrate to ammonia. Ammonia production on InRu3 and In3Ru alloys demonstrates higher catalytic activity and selectivity as the byproducts of NO2 and NO can be inhibited, while the parasitic hydrogen evolution reaction (HER) can also be significantly suppressed. Our work not only proposes efficient electrocatalysts for nitrate reduction but also provides a new strategy for the rational design of alloy catalysts for improved catalytic performance

Contains Sensitive ContentDoes not contain sensitive content
ANZSRC Field of Research 2020340701. Computational chemistry
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Byline AffiliationsQueensland University of Technology
School of Engineering
NingboTech University, China
Griffith University
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