论文标题
金属氧化物/电解质界面处的电动双层
Electric Double Layer at the Metal-Oxide/Electrolyte Interface
论文作者
论文摘要
金属氧化物表面既充当BrønstedAcid和碱，又可以用电解质溶液交换质子，并根据环境pH值产生正质或负质子电荷。然后，这些界面质子电荷通过电解质溶液的反离子补偿，这导致了电动双层（EDL）的形成。由于EDL在电化学，地球化学和胶体科学中起着至关重要的作用，因此必须了解来自实验和理论方法的金属氧化物系统中EDL的结构性质关系。本章侧重于金属氧化物/电解质界面上质子双层的物理化学。尤其是，总结了电容量滴定实验，电化学方法，表面敏感振动光谱和X射线光电子光谱的测定。接下来是来自EDL的原子建模方面的讨论，重点是基于密度功能的基于理论的分子动力学模拟。还给出了关于此主题的未来作品的结论和前景。
Metal-oxide surfaces act as both Brønsted acids and bases, which allows the exchange of protons with the electrolyte solution and generates either positive or negative proton charges depending on the environmental pH. These interfacial proton charges are then compensated by counter-ions from the electrolyte solution, which leads to the formation of the electric double layer (EDL). Because the EDL plays a crucial role in electrochemistry, geochemistry and colloid science, understanding the structure-property relationship of the EDL in metal-oxide systems from both experimental and theoretical approaches is necessary. This chapter focuses on the physical chemistry of the protonic double layer at the metal-oxide/electrolyte interface. In particular, determinations of the EDL capacitance and the double-layer potential from potentiometric titration experiments, electrochemical methods, surface-sensitive vibrational spectroscopy and X-ray photoelectron spectroscopy are summarized. This is followed by discussions from the atomistic modelling aspect of the EDL, with an emphasis on the density-functional theory-based molecular dynamics simulations. A conclusion and outlook for future works on this topic are also given.
