Surface regeneration of sulfur-poisoned Ni surfaces under SOFC operation conditions predicted by first-principles-based thermodynamic calculations

Jeng Han Wang, Mei Lin Liu*

*此作品的通信作者

研究成果: 雜誌貢獻期刊論文同行評審

63 引文 斯高帕斯(Scopus)

摘要

The surface regeneration or de-sulfurization process of a sulfur-poisoned (i.e. sulfur-covered) nickel surface by O2 and H2O has been studied using first-principles calculations with proper thermodynamic corrections. While O2 is more effective than H2O in removing the sulfur atoms adsorbed on nickel surface, it readily reacts with the regenerated Ni surface, leading to over-oxidization of Ni. Thus, H2O appears to be a better choice for the surface regeneration process. In reality, however, both O2 and H2O may be present under fuel cell operating conditions. Accordingly, the effects of the partial pressures of O2 [pO2] and H2O [pH2 O] as well as the ratio of pO2 / pH2 O on the regeneration of a sulfur-covered Ni surface without over-oxidization at different temperatures are systematically examined to identify the best conditions for regeneration of Ni-based SOFC anodes under practical conditions.

原文英語
頁(從 - 到)23-30
頁數8
期刊Journal of Power Sources
176
發行號1
DOIs
出版狀態已發佈 - 2008 1月 21
對外發佈

ASJC Scopus subject areas

  • 可再生能源、永續發展與環境
  • 能源工程與電力技術
  • 物理與理論化學
  • 電氣與電子工程

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