Application of two-dimensional sandwich structure supported Pt single-atom catalysts in photocatalytic hydrogen evolution: First principle

Using photocatalytic principle to produce hydrogen is a significant subject in the future energy direction. This article intends to design the catalytic of crystalline (amorphous) TiO2/two-dimensional MoS2 sandwich structure supporting single-atoms (SAs), and explore the effect of this particular structure on the photocatalytic reaction. After the effective mass, electrostatic potential, light absorption spectrum and other related properties were calculated. The analysis shows that catalysts with amorphous sandwich structure has excellent and electron-hole separation ability, and precious metal SAs can attach to amorphous sandwich structure more stably. Except for the Pt@Amorphousr-TiO2/MoS2 sandwich structure single-atom catalysts (SACs), which only has an excellent effect on the oxygen evolution of water, all the other interlayer catalysts have the two characteristics of photocatalytic hydrogen evolution and oxygen evolution. The catalyst designed in this paper has innovative design ideas, high-efficiency research and development value, which significantly improves the activity, selectivity and durability of the photocatalyst.