大学化学2025，Vol.40Issue(3)：148-152,5.DOI:10.12461/PKU.DXHX202405166
经典密度泛函理论辅助理解电化学界面
Classical Density Functional Theory for Understanding Electrochemical Interface
摘要
Abstract
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.关键词
电化学界面/双电层/经典密度泛函理论/电化学教学Key words
Electrochemical interface/Double electric layer/Classical density functional theory/Electrochemical teaching分类
社会科学引用本文复制引用
朱美凤,程锦,黄凯,练成,徐首红,刘洪来..经典密度泛函理论辅助理解电化学界面[J].大学化学,2025,40(3):148-152,5.基金项目
国家自然科学基金项目(22278127) （22278127）
华东理工大学本科教育教学重大工程研究项目 （）
