Journal of the Korean institute of surface engineering (한국표면공학회지)

The Korean Institute of Surface Engineering (한국표면공학회)
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Investigating adsorption ion characteristics on cobalt oxides catalyst in electrolysis of waste alkaline solutions using ab-initio study

제일원리 전산모사법을 이용한 폐양액 수전해용 코발트 산화물 촉매의 흡착 이온 특성 연구

  • Juwan Woo (Department of Nanotechnology Engineering, Pukyong National University) ;
  • Jong Min Lee (Fuel Cell Research & Demonstration Center, Future Energy Research Division, Korea Institute of Energy Research (KIER)) ;
  • MinHo Seo (Department of Nanotechnology Engineering, Pukyong National University)
  • 우주완 (부경대학교 공과대학 나노융합공학과) ;
  • 이종민 (한국에너지기술연구원 연료전지실증연구센터) ;
  • 서민호 (부경대학교 공과대학 나노융합공학과)
  • Received : 2023.11.28
  • Accepted : 2023.12.15
  • Published : 2023.12.31
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Abstract

In the industry, it is recognized that human activities significantly lead to a large amount of wastewater, mainly due to the increased use of water and energy. As a result, the growing field of wastewater resource technology is getting more attention. The common technology for hydrogen production, water electrolysis, requires purified water, leading to the need for desalination and reprocessing. However, producing hydrogen directly from wastewater could be a more cost-effective option compared to traditional methods. To achieve this, a series of first-principle computational simulations were conducted to assess how waste nutrient ions affect standard electrolysis catalysts. This study focused on understanding the adsorption mechanisms of byproducts related to the oxygen evolution reaction (OER) in anion exchange membrane (AEM) electrolysis, using Co3O4 as a typical non-precious metal catalyst. At the same time, efforts were made to develop a comprehensive free energy prediction model for more accurate predictions of OER results.

Keywords

Acknowledgement

This work was supported by a Research Grant of Pukyong National University in 2022 (202308630001)

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