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Density functional study on the geometric features and growing pattern of AlnNm clusters (n = 1–4, m = 1–4, n + m ⩽ 5)

✍ Scribed by Verónica Ferraresi Curotto; Reinaldo Pis Diez


Book ID
116376047
Publisher
Elsevier Science
Year
2011
Tongue
English
Weight
600 KB
Volume
50
Category
Article
ISSN
0927-0256

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Density functional study of NO binding o
✍ Shuang Zhao; YunLai Ren; YunLi Ren; JianJi Wang; WeiPing Yin 📂 Article 📅 2011 🏛 Elsevier 🌐 English ⚖ 463 KB

Density functional theory calculations were performed to investigate the binding of NO on small Ag n Pd m clusters (n + m 6 5). NO prefers binding to Pd site when both Ag and Pd atoms co-exist in the cluster. Generally the binding energies increase as the Pd composition increases for the given clust