Interaction of nitric oxide with the (1 0 0) surface of cobalt spinel nanocubes – A comprehensive DFT, atomistic thermodynamic, IR and TPD account

Pâmella Vasconcelos Borges Pinho,Joanna Gryboś,Camillo Hudy,Janusz Janas,Kinga Góra-Marek,Filip Zasada,Zbigniew Sojka

Applied Surface Science（2020）

引用 11|浏览6

暂无评分

摘要

•Comprehensive analysis of NO adsorption on Co3O4 nanocubes.•Multiple surface adducts were identified and characterized.•An in depth insight into the nature of the Co-NO bond was provided.•Molecular modeling and thermodynamic predictions match IR and TPD results.

查看译文

关键词

Co3O4,Nanocrystals,Speciation,NO,Adsorption,Ab initio thermodynamics,Stability,Catalyst

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