纳米团簇
催化作用
分子内力
配体(生物化学)
化学
金属
组合化学
密度泛函理论
活动站点
材料科学
立体化学
计算化学
有机化学
生物化学
受体
作者
Huiting Shan,Jiafu Shi,Tiankai Chen,Yitao Cao,Qiaofeng Yao,Hua An,Zhucheng Yang,Zhenhua Wu,Zhongyi Jiang,Jianping Xie
出处
期刊:ACS Nano
[American Chemical Society]
日期:2023-02-01
卷期号:17 (3): 2368-2377
被引量:82
标识
DOI:10.1021/acsnano.2c09238
摘要
should originate from the emptier orbitals of Au atoms because of the electron-withdrawing effect of acetyl amino group in NAC. This work demonstrates the ligand-engineered electronic structure and functionality of atomically precise metal NCs, which afford molecular and atomic level insights for artificial enzyme design.
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