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- W2297156797 abstract "Adsorption of halide anions on the electrode surface is fundamental phenomena and important in the various applications, such as the synthesis of the shape-controlled nano-particles. Cyclic voltammetry is the most important experiment for understanding the surface reactions. However it is sometimes difficult to assign the origin of peak positions and/or shapes of the voltammogram. Comparison of the experimental results with the simulated voltammograms might be helpful for assigning and clarifying of the atomistic behavior. In this study, we focus on the bromide adsorption on the Pt(111) surface, which is complicated process because Br- adsorbs simultaneously with the desorption of H+. The transition of Br-adsorption structure during voltammetry has been discussed, but is still unclear. We simulated voltammogram based on the density functional theory (DFT) calculations and discussed the peak positions, shape, and adsorption/desorption processes." @default.
- W2297156797 created "2016-06-24" @default.
- W2297156797 date "2014-01-01" @default.
- W2297156797 modified "2023-10-14" @default.
- W2297156797 title "First Principle Based Simulation of Cyclic Voltammogram: Bromide Adsorption on Pt(111) Surface" @default.
- W2297156797 doi "https://doi.org/10.1149/ma2014-02/23/1338" @default.
- W2297156797 hasPublicationYear "2014" @default.
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