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AI Summary & Key Takeaways
AI Insight⚡ TL;DR(Too Long; Didn't Read)
The details of how the DFT-based atomistic thermodynamic model can apply to the transition metal surface are also presented in this work.
📌 3 Key Takeaways
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Objective & Hypothesis:A theoretical study of oxygen adsorption on gold and gold-silver surfaces by means of density functional theory (DFT) calculations with an atomistic thermodynamic model is performed.
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Key Findings & Data:The (111) and (211) facets of gold and gold-silver alloy surfaces are considered, and their stabilization is discussed upon adsorption of oxygen depending on O and Ag coverage.
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Conclusion & Impact:The details of how the DFT-based atomistic thermodynamic model can apply to the transition metal surface are also presented in this work.
🔬Design:Modeling & Simulation
📍Scope:Comprehensive Sample
⚙️Variables:Density functional theory · atomistic thermodynamics model · oxidation
Abstract
A theoretical study of oxygen adsorption on gold and gold-silver surfaces by means of density functional theory (DFT) calculations with an atomistic thermodynamic model is performed. The (111) and (211) facets of gold and gold-silver alloy surfaces are considered, and their stabilization is discussed upon adsorption of oxygen depending on O and Ag coverage. The details of how the DFT-based atomistic thermodynamic model can apply to the transition metal surface are also presented in this work.
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Cite This Article
ŞENSOY, M. G. (2019). Ab initio atomistic thermodynamics modeling of adsorption of oxygen on gold and gold-silver surfaces. Turkish Journal of Physics, Cilt: 43 - Sayı: 5, 502–515. https://ajindex.com/articles/378315