著者

濱田 幾太郎 杉野 修

出版者

公益社団法人 日本表面科学会

雑誌

表面科学 (ISSN:03885321)

巻号頁・発行日

vol.34, no.12, pp.638-643, 2013-12-10 (Released:2013-12-19)

参考文献数

38

被引用文献数

1 1

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We describe our modeling of the electrode/electrolyte interfaces and our simulations of electrochemical reactions (electrode reactions) performed to gain molecular scale understanding of the electrode reactions. Here we focus on our recent first principles molecular dynamics simulations on the hydrogen evolution reaction at a water/platinum interface. We also discuss how to improve the present level of modeling to finally realize the comprehensive and accurate simulation.