Insights into graphdiyne-supported single Ti for water dissociation reaction

En Zheng,Guangyu He,Chao Shang,Binbin Chen,Qi Wang,Yingchun Liu

Computational and Theoretical Chemistry（2022）

引用 2|浏览5

暂无评分

摘要

•The potential of graphdiyne as the substrate for single-atom catalysts is studied.•The mechanism of water dissociation on the graphdiyne-supported Ti atom is explored.•The dissociated hydrogen atom prefers to adsorb on graphdiyne substrate.

查看译文

关键词

Density Functional Theory,Graphdiyne,Single-atom Catalyst,Water Dissociation,Hydrogen Generation,Hydrogen Adsorption

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