Halogen-Assisted Copper Atom Abstraction: A Computational Perspective
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概要
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Abstraction reactions of copper from a (111) surface using halogen (F, Cl, and Br) atoms are studied as benchmark processes involving halogen-based etching agents. Reaction energetics are discussed, as well as potential energy surfaces that were created from ab initio energy calculations as functions of the center of mass and interatomic separation of the desorbing copper monohalide molecule. We support these results with a simple quantum dynamics model for the reaction leading to the desorption of CuF, which shows very high abstraction reaction probabilities. We also comment on analogous reactions on a Cu-terminated CuO surface.
- 2009-09-25
著者
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Roman Tanglaw
Division Of Precision Science And Technology And Applied Physics Osaka University
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Kasai Hideaki
Division Of Precision Science & Technology And Applied Physics Osaka University
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Nakanishi Hiroshi
Division For Research Of Engineering Osaka University
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Nakanishi Hiroshi
Division of Precision Science and Technology and Applied Physics, Graduate School of Engineering, Osaka University, Suita, Osaka 565-0871, Japan
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Roman Tanglaw
Division of Precision Science and Technology and Applied Physics, Graduate School of Engineering, Osaka University, Suita, Osaka 565-0871, Japan
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