| Paper description |
We propose a conceptual design of InSe/g-C 3 N 4 van der Waals
heterostructure to achieve highly efficient and spontaneous water splitting. InSe/g-C 3 N 4
possesses a direct band gap of 2.04 eV with type-II band alignment, which is beneficial to
the separation of electrons and holes and exhibits proper valence and conduction-band
positions for the redox reactions of H 2 O. In addition, the adsorption of multiple water
molecules and the changes of free energy on InSe/g-C 3 N 4 have been calculated to
understand the oxygen evolution reaction (OER) process of water splitting. The free
energies of reaction on three sides are all downhill, and the values of ΔG reduce to about
−0.406 eV, indicating that the OER of water splitting is a thermodynamically permissible
reaction without the aid of any other substance. Therefore, the water-splitting reaction
could be thermodynamically continued using InSe/g-C 3 N 4 as a photocatalyst, which
indicates that InSe/g-C 3 N 4 is an excellent candidate for photocatalyst or photoelectronic
applications |
(创新港)
