AI Article Synopsis
- The research proposes creating a graphene-like material using a cluster made of iron and boron (Fe@BH) by examining its geometric shape, stability, and electron properties in different configurations.
- By using a method that removes hydrogen to connect these clusters, a hexagonal boron sheet can be formed, featuring iron atoms fixed in the center of the hexagons.
- This approach could provide a new type of material for chemists to work with, enhancing the possibilities for graphene analogues in experiments.
Article Abstract
We suggest the possibility to build graphene analogue with the planar hexacoordinate wheel-type Fe@BH cluster as the building block through studying theoretically the geometry, stability, and electron structure of its dimer and trimer as well as the dimerization of the two trimers. Employing the dehydrogenation route to polymerization, we can obtain the hexagonal boron sheet that are partly and uniformly filled by Fe atoms in the center of the holes, achieving uniform chemical doping and a very large hexagonal-hole density. Thus, we may offer a novel cluster-assembled material for experimental chemists to construct graphene analogue.
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