Electrochemical interfaces exist in diverse electrochemical devices, and the performance of these devices is directly related to the physical and chemical properties of the interface. However, it is difficult to in situ measure and characterize the structure and properties of electrochemical interfaces in experimental conditions. It is necessary to develop methods that can describe interface behavior to reveal the relationship between electrochemical interfaces and device performance. Fluid density functional theory (FDFT) stands out for its function to accurately describe the complex interface phenomena during the electrochemical process. A series of research methods based on FDFT continues to emerge. In this perspective, the development history and applications in various fields of FDFT are summarized, including time-dependent FDFT, reaction-coupled FDFT, and quantum density functional theory combined FDFT (i.e. joint density functional theory). By comparing the similarities and differences of different methods, we hope our work could further promote the long-term development of electrochemical interface models and methods.

中文翻译：

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新型电化学界面流体密度泛函理论的发展与应用

电化学界面存在于多种电化学装置中，这些装置的性能与界面的物理和化学性质直接相关。然而，在实验条件下原位测量和表征电化学界面的结构和性能是很困难的。有必要开发能够描述界面行为的方法，以揭示电化学界面与器件性能之间的关系。流体密度泛函理论（FDFT）以其准确描述电化学过程中复杂界面现象的功能而脱颖而出。一系列基于FDFT的研究方法不断涌现。在此视角下，总结了FDFT的发展历史和在各个领域的应用，包括时间相关FDFT、反应耦合FDFT以及量子密度泛函理论结合FDFT（即联合密度泛函理论）。通过比较不同方法的异同，我们希望我们的工作能够进一步促进电化学界面模型和方法的长期发展。