Theory and Practice: Bulk Synthesis of C 3 B and its H 2 ‐ and Li‐Storage Capacity

Abstract

Previous theoretical studies of C 3 B have suggested that boron‐doped graphite is a promising H 2 ‐ and Li‐storage material, with large maximum capacities. These characteristics could lead to exciting applications as a lightweight H 2 ‐storage material for automotive engines and as an anode in a new generation of batteries. However, for these applications to be realized a synthetic route to bulk C 3 B must be developed. Here we show the thermolysis of a single‐source precursor (1,3‐(BBr 2 ) 2 C 6 H 4 ) to produce graphitic C 3 B, thus allowing the characteristics of this elusive material to be tested for the first time. C 3 B was found to be compositionally uniform but turbostratically disordered. Contrary to theoretical expectations, the H 2 ‐ and Li‐storage capacities are lower than anticipated, results that can partially be explained by the disordered nature of the material. This work suggests that to model the properties of graphitic materials more realistically, the possibility of disorder must be considered.