Theoretical probing of twenty-coordinate actinide-centered boron molecular drums
Juan Wang, Nai-Xin Zhang, Cong‐Zhi Wang, Qun‐Yan Wu, Jian‐Hui Lan, Zhifang Chai, Changming Nie, Wei‐Qun Shi
Abstract
. Therefore, the covalent character of An-B bonding may be crucial for the formation of these high CN actinide-centered boron clusters. These results deepen our understanding of actinide metal doped boron clusters and provide new clues for developing stable high CN boron-based nanomaterials.
Topics & Concepts
BoronActinideDelocalized electronDensity functional theoryCovalent bondChemistryCluster (spacecraft)Computational chemistryCrystallographyAtom (system on chip)Materials scienceChemical physicsInorganic chemistryOrganic chemistryEmbedded systemProgramming languageComputer scienceBoron and Carbon Nanomaterials ResearchBoron Compounds in ChemistryInorganic Chemistry and Materials