纳米团簇
超原子
成核
材料科学
堆积
结晶学
星团(航天器)
纳米技术
Atom(片上系统)
结构稳定性
分子动力学
化学物理
化学
密度泛函理论
计算化学
计算机科学
结构工程
工程类
嵌入式系统
有机化学
程序设计语言
作者
Mei Qu,Fuqiang Zhang,Gai-Li Zhang,Miao‐Miao Qiao,Lixiang Zhao,Shili Li,Michael Walter,Xian‐Ming Zhang
标识
DOI:10.1002/ange.202318390
摘要
Luban locks with mortise and tenon structure have structural diversity and architectural stability, and it is extremely challenging to synthesize Luban lock‐like structures at the molecular level. In this work, we report the cocrystallization of two structurally related atom‐precise fcc silver nanoclusters Ag110(SPhF)48(PPh3)12 (Ag110) and Ag14(μ6‐S)(SPhF)12(PPh3)8 (Ag14). It is worth noting that the Ag110 cluster is the first compound to simulate the complex Luban lock structure at the molecular level. Meanwhile, Ag110 is the largest known fcc‐based silver nanocluster, so far, there is no precedent example fcc silver nanocluster with more than 100 silver atoms. DFT calculations show that Ag110 is a 58‐electron superatom with an electronically closed shell1S21P61D102S21F142P61G18. Ag110•Ag14 can rapidly catalyze the reduction of 4‐nitrophenol within 4 minutes. In addition, Ag110 presents clear structural evidence to reveal the critical size and mechanism of the transformation of metal core from fcc stacking to quasi‐spherical superatoms. This research work provides an important structural model for studying the nucleation mechanism and structural assembly of silver nanoclusters.
科研通智能强力驱动
Strongly Powered by AbleSci AI