Direct assembly between closed-shell coinage metal superatoms

Yu, Famin; Zhu, Yu; Wang, Rui; Huang, Wanrong; Gao, Yi; Wang, Zhigang

doi:10.1007/s12274-022-4478-0

Cited by 12 publications

(7 citation statements)

References 64 publications

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“…This is similar to the previous direct assembly of the closed‐shell superatoms W@Au 12 . [ 21 ] Previous reports have also demonstrated the feasibility and structural stability of the superatomic assembly. [ 22 ] The Voronoi deformation density charge distribution analysis also shows that both Th and Au atoms in the overlapping part lost electrons for bonding between Th@Au 6 motifs (Tables S4, Supporting Information).…”

Section: Resultsmentioning

confidence: 99%

“Z”‐Type Tilted Quasi‐One‐Dimensional Assembly of Actinide‐Embedded Coinage Metal Near‐Plane Superatoms and Their Optical Properties

Huang

Zhu

et al. 2023

Advanced Science

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In this work, a novel discovery that the coinage‐metal near‐plane superatoms (CM‐NPSs) formed by embedding actinide elements into the coinage metal rings can realize the “Z”‐type tilted quasi‐one‐dimensional (1D) direct assembly is reported. This success can be attributed to the strong bonding between the overlapping parts of adjacent superatomic motifs. First‐principles calculations reveal that the motifs maintain their geometric and electronic structures robustly during the assembly process. With the accumulation of motifs, the intensity of the absorption peak increases continuously in the ultraviolet‐visible (UV‐Vis) absorption spectra range of 300–450 nm, resulting in the hyperchromic effect, which is closely related to the degree of the participation of Th atoms. Furthermore, the absorption spectra show a continuously tunable feature in the 450–900 nm range, as the interlayer stacking pattern leads to a pronounced redshift. More importantly, the valence 5f‐shells of Th atoms have an increased contribution to the final orbitals of electronic transition, which demonstrates the advantages of the active high angular momentum electrons of actinide elements in spectral properties. These findings provide a valuable reference for the direct artificial assembly of near‐plane superatoms and optical properties of superatomic assemblies embedded with rare elements.

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Section: Resultsmentioning

confidence: 99%

“Z”‐Type Tilted Quasi‐One‐Dimensional Assembly of Actinide‐Embedded Coinage Metal Near‐Plane Superatoms and Their Optical Properties

Huang

Zhu

et al. 2023

Advanced Science

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“…This conclusion is consistent with previous studies showing that polar bonds are formed between heterodimers, and non-polar bonds are formed between homodimers. [54,55] To investigate the weak interaction in the complex, the upper and lower parts were divided into two fragments (Fig. 2(a)).…”

Section: Resultsmentioning

confidence: 99%

Bottom-up design and assembly with superatomic building blocks

Z²,

Li³

et al. 2022

Chinese Phys. B

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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 was designed. There is also an obvious van der Waals boundary by physical adsorption between the two parts, and a stable complex was 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.

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“… 22 With a growing number of gold and silver NCs being reported, it is now feasible to explore structure–property relationships at the atomic level. 23 In the case of copper systems, the scenario is somewhat different. In addition to introduced organic ligands, hydrides are often identified in copper NCs.…”

Section: Introductionmentioning

confidence: 99%