Journal of Computer Chemistry, Japan
Online ISSN : 1347-3824
Print ISSN : 1347-1767
ISSN-L : 1347-1767
総説
固体表面に存在する水素原子が示す量子効果
奥山 弘
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2016 年 15 巻 5 号 p. 170-176

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Quantum effect is manifest for hydrogen atoms on surfaces as well as for those in solution and solids. The excited states of a hydrogen atom directly adsorbed on metal surfaces are beyond the diffusion barrier, thus being delocalized to the next sites, and even spread over the entire surface in the low-coverage limit. In addition, water and hydroxyl group on the surfaces show significant quantum effect, due to tunneling and zero-point motion of the hydrogen atom. We briefly review some experimental and theoretical studies that revealed the quantum effect of the hydrogen atom on the surfaces.

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© 2016 日本コンピュータ化学会
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