A coverage dependent study of the adsorption of pyridine on the (111) coinage metal surfaces

Surface Science（2020）

引用 13|浏览3

暂无评分

摘要

•All functionals predict pyridine to adsorb with its plane perpendicular to the surface.•SCAN+rVV10 predicts more charge transfer than to the pyridine molecule than any other functionals.•All functionals disagree with experiment.•The finial adsorption configuration fails to change with coverage.

查看译文

关键词

Pyridine,Density functional theory,Coinage metal surfaces,Van der Waals interaction,SCAN+rVV10

AI 理解论文

溯源树

样例

生成溯源树，研究论文发展脉络

Chat Paper

正在生成论文摘要