期刊文献+
共找到2篇文章
< 1 >
每页显示 20 50 100
Level-shifted embedded cluster method may offer a viable alternative for the simulation of metal oxides
1
作者 Zi-Jian Zhou Xin-Ping Wu 《Chinese Journal of Structural Chemistry》 2025年第5期1-2,共2页
The use of metal oxides has been extensively documented in the literature and applied in a variety of contexts,including but not limited to energy storage,chemical sensors,and biomedical applications.One of the most s... The use of metal oxides has been extensively documented in the literature and applied in a variety of contexts,including but not limited to energy storage,chemical sensors,and biomedical applications.One of the most significant applications of metal oxides is heterogeneous catalysis,which represents a pivotal technology in industrial production on a global scale.Catalysts serve as the primary enabling agents for chemical reactions,and among the plethora of catalysts,metal oxides including magnesium oxide(MgO),ceria(CeO_(2))and titania(TiO_(2)),have been identified to be particularly effective in catalyzing a variety of reactions[1].Theoretical calculations based on density functional theory(DFT)and a multitude of other quantum chemistry methods have proven invaluable in elucidating the mechanisms of metal-oxide-catalyzed reactions,thereby facilitating the design of high-performance catalysts[2]. 展开更多
关键词 chemical reactionsand industrial production heterogeneous catalysiswhich metal oxides energy storagechemical biomedical applicationsone level shifted embedded cluster method catalystsmetal oxides
原文传递
In-situ SEIRAS for dynamic single-atom catalysis
2
作者 Haifeng Qi Graham J.Hutchings 《Chinese Journal of Catalysis》 2025年第10期1-3,共3页
Single-atom catalysis has revolutionized heterogeneous catalysis,which offers unparalleled atomic efficiency,well-defined active sites,and unique electronic properties.Unlike traditional nanoparticle catalysts,single-... Single-atom catalysis has revolutionized heterogeneous catalysis,which offers unparalleled atomic efficiency,well-defined active sites,and unique electronic properties.Unlike traditional nanoparticle catalysts,single-atom catalysts(SACs)maximize metal utilization and exhibit distinct catalytic behaviors due to their atomically dispersed nature.Over the past decade,SACs have demonstrated exceptional performance in various electrochemical and thermocatalytic reactions[1–3].However,despite these promising developments,several fundamental challenges hinder their practical implementation and large-scale commercialization.SACs face three major challenges:catalytic activity,stability,and scalable synthesis.Their isolated nature limits multi-electron transfer processes,making reaction kinetics highly sensitive to the coordination environment.To enhance catalytic activity,strategies such as secondary coordination effect,doping,and/or dual-atom configuration can be employed.Stability is another key issue,as single atoms tend to aggregate or undergo oxidation under reaction conditions,leading to performance decay.Strategies like strong metal-support interaction and ligand stabilization can be adopted to improve the durability of SACs. 展开更多
关键词 single atom catalysts catalytic activity heterogeneous catalysiswhich scalable synthesis electrochemical thermocatalytic reactions howeverdespite coordination environment nanoparticle catalystssingle atom strong metal support interaction
在线阅读 下载PDF
上一页 1 下一页 到第
使用帮助 返回顶部