期刊
JOURNAL OF PHYSICAL CHEMISTRY C
卷 111, 期 26, 页码 9403-9406出版社
AMER CHEMICAL SOC
DOI: 10.1021/jp072907q
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We report a first-principles study of copper agglomeration on the WN(001) surface using density functional theory. Small copper cluster formation was explicitly examined by calculating the minimum energy pathways, yielding detailed information on the adsorption structures and energies. The results show that copper agglomeration is a competitive process against surface wetting and agglomeration may occur under typical atomic layer deposition (ALD) conditions.
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