B48−: a bilayer boron cluster

• Published in: Nanoscale Vol. 13; no. 6; pp. 3868 - 3876
• Main Authors: Wei-Jia, Chen, Yuan-Yuan, Ma, Teng-Teng, Chen, Mei-Zhen Ao, Dao-Fu, Yuan, Chen, Qiang, Xin-Xin, Tian, Yue-Wen, Mu, Si-Dian, Li, Lai-Sheng, Wang
• Format: Journal Article
• Language: English
• Published: Cambridge Royal Society of Chemistry 14.02.2021
• Subjects: Bilayers; Bonding strength; Boron; Borophene; Clusters; First principles; Interlayers; Mathematical analysis; Nanoclusters; Photoelectrons; Spectrum analysis

Size-selected negatively-charged boron clusters (Bn−) have been found to be planar or quasi-planar in a wide size range. Even though cage structures emerged as the global minimum at B39−, the global minimum of B40− was in fact planar. Only in the neutral form did the B40 borospherene become the glob...