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Citation: Meifeng Zhu, Jin Cheng, Kai Huang, Cheng Lian, Shouhong Xu, Honglai Liu. Classical Density Functional Theory for Understanding Electrochemical Interface[J]. University Chemistry, ;2025, 40(3): 148-152. doi: 10.12461/PKU.DXHX202405166 shu

Classical Density Functional Theory for Understanding Electrochemical Interface

Meifeng Zhu ^1,2 ,
Jin Cheng ² ,
Kai Huang ² ,
Cheng Lian ^2,, ,
Shouhong Xu ² ,
Honglai Liu ²

1.
International Elite Engineering School, East China University of Science and Technology, Shanghai 200237, China;
2.
School of Chemical and Molecular Engineering, East China University of Science and Technology, Shanghai 200237, China

Corresponding author: Cheng Lian, liancheng@ecust.edu.cn
Received Date: 27 May 2024
Revised Date: 2 September 2024

Understanding abstract electrochemical interface phenomena is a key challenge in electrochemical education. Classical density functional theory (CDFT) calculations enable the visualization of ion density distributions at electrochemical interfaces. Introducing CDFT in the classroom facilitates the clear visualization of electrochemical interfaces, helping students grasp the mechanisms of electrochemical processes. Furthermore, this approach facilitates exploration of applications in advanced fields such as chemical power sources and enhanced oil recovery. Consequently, this approach significantly enhances teaching effectiveness and inspires students' enthusiasm for learning.
- Electrochemical interface,
- Double electric layer,
- Classical density functional theory,
- Electrochemical teaching
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