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诱导聚集与协同配位策略构筑金属氧合团簇及其有机骨架
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作者 方伟慧 杨国昱 《中国科学:化学》 CAS CSCD 北大核心 2020年第9期975-985,共11页
随着金属有机骨架(metal organic frameworks,MOFs)和金属氧合团簇(metal oxo clusters,MOCs)两大领域的不断发展壮大,形成了一种新的材料—金属簇有机骨架(metal cluster organic frameworks,MCOFs).由于这种材料同时结合了金属氧合团... 随着金属有机骨架(metal organic frameworks,MOFs)和金属氧合团簇(metal oxo clusters,MOCs)两大领域的不断发展壮大,形成了一种新的材料—金属簇有机骨架(metal cluster organic frameworks,MCOFs).由于这种材料同时结合了金属氧合团簇的特性和孔隙特性,使化学家们产生了浓厚的研究兴趣.本文综述了稀土氧合团簇有机骨架(lanthanide cluster organic frameworks,LnCOFs)的主要进展,提出了诱导聚集成簇和协同配位策略.通过文献调研分析,阐明该策略不仅适合MCOFs,也适用于新颖MOCs的构筑. 展开更多
关键词 氧合团簇 金属有机骨架 诱导聚集 协同配位
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Theoretical insights into oxygen reduction reaction on Au-based single-atom alloy cluster catalysts
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作者 Yixuan Pu Jin-Xun Liu 《Chinese Journal of Chemical Physics》 SCIE EI CAS CSCD 2024年第5期573-581,I0002-I0017,I0099,共26页
Developing highly active alloy catalysts that surpass the performance of platinum group metals in the oxygen reduction reaction(ORR)is critical in electrocatalysis.Gold-based single-atom alloy(AuSAA)clusters are gaini... Developing highly active alloy catalysts that surpass the performance of platinum group metals in the oxygen reduction reaction(ORR)is critical in electrocatalysis.Gold-based single-atom alloy(AuSAA)clusters are gaining recognition as promising alternatives due to their potential for high activity.However,enhancing its activity of AuSAA clusters remains challenging due to limited insights into its actual active site in alkaline environments.Herein,we studied a variety of Au_(54)M_(1) SAA cluster catalysts and revealed the operando formed MO_(x)(OH)_(y) complex acts as the crucial active site for catalyzing the ORR under the basic solution condition.The observed volcano plot indicates that Au_(54)Co_(1),Au_(54)M_(1),and Au_(54)Ru_(1) clusters can be the optimal Au_(54)M_(1) SAA cluster catalysts for the ORR.Our findings offer new insights into the actual active sites of AuSAA cluster catalysts,which will inform rational catalyst design in experimental settings. 展开更多
关键词 Density functional theory Single-atom alloy cluster Oxygen reduction reaction Gold cluster Molecular dynamic simulation
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