Density function theory study of copper agglomeration on the WN(001) surface

作者：Wu Jinping^*; Han Bo; Zhou Chenggang; Lei Xinjian; Gaffney Thomas R; Norman John A T; Li Zhengwen; Gordon Roy; Cheng Hansong

来源：Journal of Physical Chemistry C, 2007, 111(26): 9403-9406.

DOI：10.1021/jp072907q

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.

• 出版日期2007-7-5
• 单位中国地质大学（北京）