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Updated: Jan 27, 2026

Synthesis of In37P20O2CR51 Clusters and Their Conversion to InP Quantum Dots
Published on: May 7, 2019
Exhaustive exploration of MgBn (n = 10-20) clusters and their anions
Yonghong Tian1, Donghe Wei, Yuanyuan Jin
1School of Physics and Optoelectronic Engineering, Yangtze University, Jingzhou 434023, China. lucheng@calypso.cn.
Abstract:
To understand the effect of magnesium atom doping on boron clusters, here we report the lowest-lying energy structures and electronic properties of neutral and monoanionic magnesium-boron clusters, in which boron atoms range in size from 10 to 20, in the framework of a CALYPSO structural search and DFT calculations. One of the most stable combinations is MgB18, which adopts an unexpected tubular drum-shaped geometry that is found for the first time in boron clusters doped with alkaline-earth metal atoms. The stability of the MgB18 cluster mainly stems from the intense electrostatic interaction between the B18 skeleton and the Mg atom.
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