Bottom-up design and assembly with superatomic building blocks

doi:10.1088/1674-1056/ac9e97

中国物理B ›› 2022, Vol. 31 ›› Issue (12): 128107-128107.doi: 10.1088/1674-1056/ac9e97

Bottom-up design and assembly with superatomic building blocks

Famin Yu(于法民)¹, Zhonghua Liu(刘中华)¹, Jiarui Li(李佳芮)¹, Wanrong Huang(黄婉蓉)¹, Xinrui Yang(杨欣瑞)¹, and Zhigang Wang(王志刚)^1,2,3,†

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

收稿日期:2022-09-01 修回日期:2022-10-15 接受日期:2022-10-31 出版日期:2022-11-11 发布日期:2022-11-11
通讯作者: Zhigang Wang E-mail:wangzg@jlu.edu.cn,wangzg1978@hotmail.com
基金资助:
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.

Bottom-up design and assembly with superatomic building blocks

Famin Yu(于法民)¹, Zhonghua Liu(刘中华)¹, Jiarui Li(李佳芮)¹, Wanrong Huang(黄婉蓉)¹, Xinrui Yang(杨欣瑞)¹, and Zhigang Wang(王志刚)^1,2,3,†

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

Received:2022-09-01 Revised:2022-10-15 Accepted:2022-10-31 Online:2022-11-11 Published:2022-11-11
Contact: Zhigang Wang E-mail:wangzg@jlu.edu.cn,wangzg1978@hotmail.com
Supported by:
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.

摘要/Abstract

摘要： 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.

关键词: superatom, bottom-up, assembly, atomic level

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.

Key words: superatom, bottom-up, assembly, atomic level

中图分类号: (Self-assembly)

81.16.Dn

87.16.dr (Assembly and interactions) 31.70.-f (Effects of atomic and molecular interactions on electronic structure) 36.40.-c (Atomic and molecular clusters)

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[J]. 中国物理B, 2022, 31(12): 128107-128107.

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Bottom-up design and assembly with superatomic building blocks

Bottom-up design and assembly with superatomic building blocks

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