BCN: A Graphene Analogue with Remarkable Adsorptive Properties

A new analogue of graphene containing boron, carbon and nitrogen (BCN) has been obtained by the reaction of high‐surface‐area activated charcoal with a mixture of boric acid and urea at 900 °C. X‐ray photoelectron spectroscopy and electron energy‐loss spectroscopy reveal the composition to be close to BCN. The X‐ray diffraction pattern, high‐resolution electron microscopy images and Raman spectrum indicate the presence of graphite‐type layers with low sheet‐to‐sheet registry. Atomic force microscopy reveals the sample to consist of two to three layers of BCN, as in a few‐layer graphene. BCN exhibits more electrical resistivity than graphene, but weaker magnetic features. BCN exhibits a surface area of 2911 m² g^?1, which is the highest value known for a B_xC_yN_z composition. It exhibits high propensity for adsorbing CO₂ (≈100 wt %) at 195 K and a hydrogen uptake of 2.6 wt % at 77 K. A first‐principles pseudopotential‐based DFT study shows the stable structure to consist of BN₃ and NB₃ motifs. The calculations also suggest the strongest CO₂ adsorption to occur with a binding energy of 3.7 kJ mol^?1 compared with 2.0 kJ mol^?1 on graphene.