| 초록 |
The importance of electrochemical systems is rapidly growing due to their wide applications in renewable energy generation and storage. For further developing and optimizing these renewable energy systems, it is thus required to understand the operational mechanism of the electrochemical processes at the level of atoms and molecules. However, the electrochemical systems usually have a high degree of complexity, where many different scales of physics and chemistry are concurrently undergoing. For the systematic understanding and improvement of the electrochemical systems, we use first-principles based multi-scale computational methods to understand, predict, and design the electrochemical processes. In this talk, I will discuss our recent works demonstrating how the computational simulations can aid understanding the electrochemical systems, particularly aiming for the application of CO2 reduction, and suggest a theoretical guideline for developing better electrochemical catalysts. |
