Sc6Se8 Magic Cluster

Strong visible-light absorption

A magic super-atomic building block in the Sc-Se system with pronounced aromaticity and favorable excitonic features.

Hou, Liyuan · Yang, Jucai · Dong, Xueyan · Dong, Caixia · Yang, Zhaofeng

Communications Chemistry 2026

Advantages

Fingerprint spectra for identification

Simulated photoelectron, vibrational, and UV-vis spectra serve as characteristic fingerprints to identify cluster structures experimentally.

Outstanding stability

Average binding energy and second-order energy difference analyses confirm Sc6Se8 as the most stable cluster in the series, making it a reliable building block.

Strong visible-light absorption

Sc6Se8 exhibits strong absorption in the visible range, beneficial for light-harvesting applications.

Applications

• Superatomic clusters：Leverage its magic super-atomic properties to design novel functional materials
• Transition metal chalcogenide clusters：Serve as a stable building block in Sc-Se systems for further synthesis
• Visible-light-absorbing materials：For visible-light harvesting and optoelectronic devices
• Aromatic clusters：Exploit its aromaticity to enhance electronic stability
• Photocatalytic materials：Potentially act as a photocatalytic active component absorbing visible light