Ligand engineering for well-defined gold nanoclusters(Au NCs) is getting more extensive attention. Organizing the Au-ligand interfaces on gold NCs can achieve the structural and functional control. This review focuses...Ligand engineering for well-defined gold nanoclusters(Au NCs) is getting more extensive attention. Organizing the Au-ligand interfaces on gold NCs can achieve the structural and functional control. This review focuses on the Au-ligand interfaces including gold-phosphorus(Au-P), gold-sulfur(Au-S), gold-selenium(Au-Se), gold-carbon(Au-C), and gold-nitrogen(Au-N), derived from the bonding between Au atoms and the different ligands(e.g., organic phosphine, thiolate, selenolate, alkynyl,n-heterocyclic carbene and nitrogenous ligands). The formation mechanism of Au-ligand interfaces is well discussed. In addition, the effects of Au-ligand interfaces on the stability, optical property, and catalysis are also presented. We hope the advances in this research area can boost the development of Au NC sciences.展开更多
采用改进型嵌入原子法(modifiedembedded atom method,MEAM),计算了(001)Au/(111)Si、(011)Au/(111)Si、(111)Au/(111)Si、(001)Au/(001)Si、(011)Au/(001)Si、(111)Au/(001)Si六个扭转界面的界面能.结果表明,不论是对于(111)Si还是(001...采用改进型嵌入原子法(modifiedembedded atom method,MEAM),计算了(001)Au/(111)Si、(011)Au/(111)Si、(111)Au/(111)Si、(001)Au/(001)Si、(011)Au/(001)Si、(111)Au/(001)Si六个扭转界面的界面能.结果表明,不论是对于(111)Si还是(001)Si基底,相同基底的界面均按照(111)Au/Si、(001)Au/Si、(011)Au/Si顺序依次增加;从界面能的最小化考虑,Au在(111)Si或(001)Si基底上的外延生长,Au(111)面为择优晶面,择优扭转角分别为θ=2.68°和θ=2.42°.展开更多
基金supported by the Jiangsu Natural Science Foundation of China(BK20230329)the Natural Science Foundation of the Jiangsu Higher Education Institutions of China(22KJB150026)+1 种基金the Foundation of the National Natural Science Foundation of China(21802070 and 2217816)the National Key R&D Program of China(2018YFE0122600)。
文摘Ligand engineering for well-defined gold nanoclusters(Au NCs) is getting more extensive attention. Organizing the Au-ligand interfaces on gold NCs can achieve the structural and functional control. This review focuses on the Au-ligand interfaces including gold-phosphorus(Au-P), gold-sulfur(Au-S), gold-selenium(Au-Se), gold-carbon(Au-C), and gold-nitrogen(Au-N), derived from the bonding between Au atoms and the different ligands(e.g., organic phosphine, thiolate, selenolate, alkynyl,n-heterocyclic carbene and nitrogenous ligands). The formation mechanism of Au-ligand interfaces is well discussed. In addition, the effects of Au-ligand interfaces on the stability, optical property, and catalysis are also presented. We hope the advances in this research area can boost the development of Au NC sciences.
文摘采用改进型嵌入原子法(modifiedembedded atom method,MEAM),计算了(001)Au/(111)Si、(011)Au/(111)Si、(111)Au/(111)Si、(001)Au/(001)Si、(011)Au/(001)Si、(111)Au/(001)Si六个扭转界面的界面能.结果表明,不论是对于(111)Si还是(001)Si基底,相同基底的界面均按照(111)Au/Si、(001)Au/Si、(011)Au/Si顺序依次增加;从界面能的最小化考虑,Au在(111)Si或(001)Si基底上的外延生长,Au(111)面为择优晶面,择优扭转角分别为θ=2.68°和θ=2.42°.
