ConPdm ve ConAum (n+m=100) Nanoalaşımlarının MgO(001) Yüzeyi Üzerindeki Yapısal Özelliklerinin İncelenmesi
Abstract
Bu çalışmada, MgO(001) yüzeyi üzerinde desteklenen ConAum(n+m=100) ve ConPdm(n+m=100) ikili metal nanoalaşımlarda Co atom oranının %10 ile %90 arasında değiştirilmesi sonucu her bir kompozisyonun yapısal özellikleri incelenmiştir. İkili metal nanoalaşımların global minimum(GM) yapıları Basin-Hopping optimizasyon yöntemi ile elde edilmiştir. Atomlar arası etkileşmeleri inceleyebilmek için Gupta çok cisim potansiyel enerji fonksiyonu kullanılmıştır. Optimizasyonu yapılan ConAum ve ConPdmikili metal nanoalaşımların MgO(001) yüzeyi üzerindeki yapısal özelliklerinde Au ve Pd atomlarının sebep olduğu benzerlik ve farklılıklar incelenmiştir. Ayrıca, nanoalaşımların yüzey üzerindeki epitaksiyel yerleşimleri de ele alınmıştır.
Keywords
References
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