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Surface facet dependence of Ru and Ru-based alloy oxidation resistance using ab initio thermodynamics calculation by Susan Meñez Aspera; Elvis Flaviano Arguelles; Ryan Lacdao Arevalo; Bhume Chantaramolee; Hiroshi Nakanishi; Hideaki Kasai is a Physics and Astronomy article available to read on EtoBox.
What is Surface facet dependence of Ru and Ru-based alloy oxidation resistance using ab initio thermodynamics calculation about?
Recent studies exemplify the high activity of Ru for electrochemical catalytic reactions. However, among these reactions, Ru catalysts are known to easily oxidize with accompanying metal dissolution in the aqueous solution. Therefore, materials design for Ru-based materials should take into consideration its high oxidative property. In this study, we take into consideration the effective facet energy to describe surface energy and evaluate facet dependence of oxidation resistance. The effective facet energy is expressed as an energy correction to the bulk cohesive energy that minimizes layer dependence of surface energy calculation. We used this surface corrected energy to simulate the Pourbaix diagram of the first oxidation of Ru to Ru 2 O 3 as a function of surface facets using Ab Initio thermodynamics calculations. Results show that there is a relatively higher potential for oxidation on the Ru (0001) facet as compared with the Ru (1010) facet, predicting that the former facet shows higher oxidation resistance. We further extend our analysis on the oxidation of RuIr alloy and found that the oxidation potential is increased through alloying. Similarly, a relatively higher oxidati
Who reads Surface facet dependence of Ru and Ru-based alloy oxidation resistance using ab initio thermodynamics calculation?
It is typically read by researchers, students, and practitioners in Physics and Astronomy.
- Author
- Susan Meñez Aspera; Elvis Flaviano Arguelles; Ryan Lacdao Arevalo; Bhume Chantaramolee; Hiroshi Nakanishi; Hideaki Kasai
- Publisher
- Elsevier BV
- Published
- 2022
- Language
- EN
- Field
- Physics and Astronomy (Physical Sciences)