1 Institute of Atomic and Molecular Physics, Jilin University, Changchun 130012, China; 2 College of Physics, Jilin University, Changchun 130012, China; 3 Institute of Theoretical Chemistry, College of Chemistry, Jilin University, Changchun 130023, China
Abstract Constructing specific structures from the bottom up with artificial units is an important interdisciplinary topic involving physics, chemistry, materials, and so on. In this work, we theoretically demonstrated the feasibility of using superatoms as building blocks to assemble a complex at atomic-level precision. By using a series of actinide-based endohedral metallofullerene (EMF) superatoms that can form one, two, three and four chemical bonds, a planar complex with intra- and inter-molecular interactions was assembled on the Au(111) surface. This complex is composed of two parts, containing ten and eight superatoms, respectively. The electronic structure analysis shows that the electron density inside each part is connected and the closed-shell electronic arrangement system is designed. There is also an obvious van der Waals boundary by physical adsorption between the two parts, and a stable complex is formed. Since this complex is realized by the first-principles calculations of quantum mechanics, our results help not only achieve atomic-level precision construction with artificial superatomic units but also maintain atomic-level functional properties.
Fund: This work is supported by the National Natural Science Foundation of China (Grant Nos. 11974136, 11674123, and 11374004). Z. W. also acknowledges the High-Performance Computing Center of Jilin University and National Supercomputing Center in Shanghai.
Corresponding Authors:
Zhigang Wang
E-mail: wangzg@jlu.edu.cn,wangzg1978@hotmail.com
Cite this article:
Famin Yu(于法民), Zhonghua Liu(刘中华), Jiarui Li(李佳芮), Wanrong Huang(黄婉蓉), Xinrui Yang(杨欣瑞), and Zhigang Wang(王志刚) Bottom-up design and assembly with superatomic building blocks 2022 Chin. Phys. B 31 128107
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