Graphene is a two-dimensional material with a wide range of applications because of its excellent physicochemical properties. These can be even further improved by introducing heteroatoms, such as boron, sulfur, nitrogen, phosphorus, into the carbon framework. Such complexes can broaden graphene application in electronics and spintronics.
Researchers led by Pavel Hobza from IOCB Prague and IT4Innovations studied the nanocomposite of phosphorous (P)-doped graphene with fullerene C60 and investigated the stability of the P–C dative bond using DFT-D molecular dynamics simulations. The new nanocomposite has a potential application in energy harvesting thanks to a considerable amount of charge transfer from the P–Gr surface to C60 molecules.
Read the paper:
- Lo, R.; Manna, D.; Hobza, P. P-Doped graphene–C60 nanocomposite: a donor–acceptor complex with a P–C dative bond. Chem. Commun. 2022, 58, 1045. https://doi.org/10.1039/D1CC05737E
